 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104145/Gau-46885.inp" -scrdir="/scratch/9104145/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     46892.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer07_wB97XD_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer07_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Pol
 ar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H                     1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           1           2           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           2           1           1           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9792471           3.8053768           3.6804336
 Leave Link  202 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0103222736 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5839790889 Hartrees.
 Leave Link  301 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:49:45 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer07_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:49:46 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.581414707954    
 DIIS: error= 8.38D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.581414707954     IErMin= 1 ErrMin= 8.38D-03
 ErrMax= 8.38D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.48D-03 BMatP= 4.48D-03
 IDIUse=3 WtCom= 9.16D-01 WtEn= 8.38D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.500 Goal=   None    Shift=    0.000
 GapD=    0.500 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.37D-03 MaxDP=2.60D-01              OVMax= 1.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.35D-03    CP:  1.02D+00
 E= -197.585275594390     Delta-E=       -0.003860886436 Rises=F Damp=F
 DIIS: error= 6.83D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.585275594390     IErMin= 2 ErrMin= 6.83D-04
 ErrMax= 6.83D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.57D-05 BMatP= 4.48D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.83D-03
 Coeff-Com: -0.613D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.609D-01 0.106D+01
 Gap=     0.486 Goal=   None    Shift=    0.000
 RMSDP=7.09D-04 MaxDP=6.35D-02 DE=-3.86D-03 OVMax= 4.14D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.61D-04    CP:  1.03D+00  1.10D+00
 E= -197.585400116237     Delta-E=       -0.000124521847 Rises=F Damp=F
 DIIS: error= 3.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.585400116237     IErMin= 3 ErrMin= 3.70D-04
 ErrMax= 3.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-05 BMatP= 6.57D-05
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.70D-03
 Coeff-Com: -0.350D-01 0.342D+00 0.693D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.349D-01 0.341D+00 0.694D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=8.27D-05 MaxDP=8.01D-03 DE=-1.25D-04 OVMax= 7.78D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.68D-05    CP:  1.03D+00  1.10D+00  9.96D-01
 E= -197.585418472694     Delta-E=       -0.000018356456 Rises=F Damp=F
 DIIS: error= 9.66D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.585418472694     IErMin= 4 ErrMin= 9.66D-05
 ErrMax= 9.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-07 BMatP= 1.89D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.941D-03-0.626D-01 0.118D+00 0.943D+00
 Coeff:      0.941D-03-0.626D-01 0.118D+00 0.943D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=1.96D-05 MaxDP=7.48D-04 DE=-1.84D-05 OVMax= 4.46D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  1.03D+00  1.10D+00  1.02D+00  1.01D+00
 E= -197.585419947335     Delta-E=       -0.000001474642 Rises=F Damp=F
 DIIS: error= 2.20D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.585419947335     IErMin= 5 ErrMin= 2.20D-05
 ErrMax= 2.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-08 BMatP= 9.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.117D-02-0.283D-01 0.974D-02 0.285D+00 0.733D+00
 Coeff:      0.117D-02-0.283D-01 0.974D-02 0.285D+00 0.733D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=5.00D-06 MaxDP=1.41D-04 DE=-1.47D-06 OVMax= 7.53D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.00D-06    CP:  1.03D+00  1.10D+00  1.03D+00  1.04D+00  1.03D+00
 E= -197.585420024088     Delta-E=       -0.000000076752 Rises=F Damp=F
 DIIS: error= 7.41D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.585420024088     IErMin= 6 ErrMin= 7.41D-06
 ErrMax= 7.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.84D-09 BMatP= 7.65D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.356D-03-0.481D-02-0.740D-02 0.239D-01 0.264D+00 0.724D+00
 Coeff:      0.356D-03-0.481D-02-0.740D-02 0.239D-01 0.264D+00 0.724D+00
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=2.52D-06 MaxDP=2.36D-04 DE=-7.68D-08 OVMax= 2.28D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.35D-06    CP:  1.03D+00  1.10D+00  1.03D+00  1.05D+00  1.12D+00
                    CP:  1.00D+00
 E= -197.585420032058     Delta-E=       -0.000000007970 Rises=F Damp=F
 DIIS: error= 5.38D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.585420032058     IErMin= 7 ErrMin= 5.38D-07
 ErrMax= 5.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.00D-11 BMatP= 7.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.763D-04 0.181D-02-0.774D-03-0.172D-01-0.452D-01-0.383D-01
 Coeff-Com:  0.110D+01
 Coeff:     -0.763D-04 0.181D-02-0.774D-03-0.172D-01-0.452D-01-0.383D-01
 Coeff:      0.110D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=6.61D-07 MaxDP=2.72D-05 DE=-7.97D-09 OVMax= 6.78D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.02D-07    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.08D+00  1.13D+00
 E= -197.585420032261     Delta-E=       -0.000000000203 Rises=F Damp=F
 DIIS: error= 8.76D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.585420032261     IErMin= 8 ErrMin= 8.76D-08
 ErrMax= 8.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.91D-13 BMatP= 7.00D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.671D-05-0.224D-03 0.110D-03 0.257D-02 0.549D-02-0.264D-02
 Coeff-Com: -0.211D+00 0.121D+01
 Coeff:      0.671D-05-0.224D-03 0.110D-03 0.257D-02 0.549D-02-0.264D-02
 Coeff:     -0.211D+00 0.121D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=1.14D-07 MaxDP=1.50D-05 DE=-2.03D-10 OVMax= 7.99D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.14D-08    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.09D+00  1.14D+00  1.21D+00
 E= -197.585420032268     Delta-E=       -0.000000000007 Rises=F Damp=F
 DIIS: error= 8.33D-09 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.585420032268     IErMin= 9 ErrMin= 8.33D-09
 ErrMax= 8.33D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-15 BMatP= 9.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.600D-06 0.262D-04-0.966D-05-0.331D-03-0.501D-03 0.668D-03
 Coeff-Com:  0.278D-01-0.200D+00 0.117D+01
 Coeff:     -0.600D-06 0.262D-04-0.966D-05-0.331D-03-0.501D-03 0.668D-03
 Coeff:      0.278D-01-0.200D+00 0.117D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=9.86D-09 MaxDP=1.40D-06 DE=-7.16D-12 OVMax= 4.02D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.36D-09    CP:  1.03D+00  1.10D+00  1.02D+00  1.05D+00  1.13D+00
                    CP:  1.09D+00  1.14D+00  1.21D+00  1.16D+00
 E= -197.585420032266     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 4.89D-10 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -197.585420032268     IErMin=10 ErrMin= 4.89D-10
 ErrMax= 4.89D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-17 BMatP= 5.74D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.550D-08-0.105D-05-0.322D-06 0.161D-04 0.128D-04-0.612D-04
 Coeff-Com: -0.135D-02 0.122D-01-0.117D+00 0.111D+01
 Coeff:      0.550D-08-0.105D-05-0.322D-06 0.161D-04 0.128D-04-0.612D-04
 Coeff:     -0.135D-02 0.122D-01-0.117D+00 0.111D+01
 Gap=     0.484 Goal=   None    Shift=    0.000
 RMSDP=7.52D-10 MaxDP=8.66D-08 DE= 1.99D-12 OVMax= 4.58D-09

 SCF Done:  E(RwB97XD) =  -197.585420032     A.U. after   10 cycles
            NFock= 10  Conv=0.75D-09     -V/T= 2.0134
 KE= 1.949647996031D+02 PE=-8.521722215430D+02 EE= 2.610380228188D+02
 Leave Link  502 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:             183.6 elap:              23.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11426408D+03

 Leave Link  801 at Thu Jan 27 11:50:09 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.63D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 8.31D-02 7.33D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 9.20D-03 2.07D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 8.86D-04 9.62D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 2.30D-05 1.89D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 2.01D-07 1.55D-04.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 3.95D-09 1.65D-05.
     11 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 5.07D-11 1.67D-06.
      8 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 5.47D-13 1.57D-07.
      3 vectors produced by pass  9 Test12= 6.12D-14 8.33D-09 XBig12= 6.27D-15 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.649487D+02
      2  0.235905D-02  0.649450D+02
      3  0.506812D-02  0.469326D-02  0.649621D+02
 Isotropic polarizability for W=    0.085645       64.95 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.417397D+00  0.173321D-01  0.148395D+01
      2   0.186798D+01 -0.116475D+01 -0.548984D+00
      3  -0.145059D+01  0.114742D+01 -0.934963D+00
      4   0.200851D-01  0.188846D+01  0.199837D+01
      5   0.149549D+01  0.200152D+01 -0.141901D+01
      6   0.200766D+01 -0.544616D+00  0.114837D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.236280D-02 -0.401566D-02 -0.294326D-02
      2   0.428217D-03 -0.158895D-02  0.130054D-01
      3  -0.582822D-02 -0.588203D-02 -0.782004D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.314638D-02  0.436814D-02 -0.943560D-03
      2  -0.115384D-01 -0.928686D-02  0.315727D-01
      3   0.275298D-02 -0.204818D-01  0.614048D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.398879D-03  0.000000D+00  0.241905D-02
      2   0.000000D+00 -0.153132D-02 -0.394471D-03
      3   0.241905D-02 -0.394471D-03  0.192205D-02
 OR G Eigenvalues:    -0.0020    -0.0015     0.0035  Iso=     0.0000
 Eigenvectors:
   (1)   0.757300  -0.412381  -0.506398
   (2)   0.382575   0.908567  -0.167756
   (3)   0.529276  -0.066694   0.845824
 w=    0.085645 a.u., Optical Rotation Beta=      0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 1.49D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.92D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 4.14D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 9.48D-03 2.22D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.87D-03 7.83D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 2.08D-05 7.04D-04.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 3.18D-07 9.44D-05.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 3.11D-09 1.59D-05.
     30 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 9.37D-12 7.38D-07.
     22 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 4.67D-14 6.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   232 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 4.34D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 4.34D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.05D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.235905D-02  0.506812D-02
      2   0.235905D-02  0.649450D+02  0.469326D-02
      3   0.506812D-02  0.469326D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.236280D-02 -0.401566D-02 -0.294326D-02
      2   0.428217D-03 -0.158895D-02  0.130054D-01
      3  -0.582822D-02 -0.588203D-02 -0.782004D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.417397D+00  0.173321D-01  0.148395D+01
      2   0.186798D+01 -0.116475D+01 -0.548984D+00
      3  -0.145059D+01  0.114742D+01 -0.934963D+00
      4   0.200851D-01  0.188846D+01  0.199837D+01
      5   0.149549D+01  0.200152D+01 -0.141901D+01
      6   0.200766D+01 -0.544616D+00  0.114837D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.953669D+00  0.525820D-01  0.358441D+01  0.726781D-01  0.445929D+01
      2   0.525820D-01  0.445077D+01  0.475438D+01  0.445929D+01 -0.275284D+01
      3   0.358441D+01  0.475438D+01 -0.340249D+01  0.476760D+01 -0.134019D+01
                 6             7             8             9            10 
      1   0.476760D+01  0.352639D+01  0.477623D+01 -0.347303D+01 -0.711107D+00
      2  -0.134019D+01  0.477623D+01 -0.137093D+01  0.271604D+01 -0.665706D-01
      3   0.276793D+01 -0.347303D+01  0.271604D+01 -0.228969D+01 -0.259041D+01
                11            12            13            14            15 
      1  -0.665706D-01 -0.259041D+01  0.112313D+00 -0.432814D+01 -0.380444D+01
      2  -0.359291D+01 -0.381750D+01 -0.432814D+01  0.143402D+01  0.179676D+01
      3  -0.381750D+01  0.293545D+01 -0.380444D+01  0.179676D+01 -0.199895D+01
                16            17            18            19            20 
      1  -0.322026D+01 -0.378934D+01  0.221171D+01  0.217463D+01  0.256995D+00
      2  -0.378934D+01  0.116385D+01 -0.216701D+01  0.256995D+00 -0.367203D+01
      3   0.221171D+01 -0.216701D+01  0.309735D+01 -0.249892D+01 -0.400428D+01
                21            22            23            24            25 
      1  -0.249892D+01 -0.352189D+00 -0.300033D+01 -0.400313D+01 -0.289199D+01
      2  -0.400428D+01 -0.300033D+01  0.350600D+01  0.126624D+01 -0.395191D+01
      3   0.256907D+01 -0.400313D+01  0.126624D+01 -0.212358D+01  0.321423D+01
                26            27            28            29            30 
      1  -0.395191D+01  0.321423D+01  0.199376D+01 -0.797970D+00 -0.292228D+01
      2   0.801781D+00 -0.147776D+01 -0.797970D+00 -0.388041D+01 -0.381831D+01
      3  -0.147776D+01  0.291748D+01 -0.292228D+01 -0.381831D+01  0.273392D+01
                31            32            33            34            35 
      1   0.195676D-01 -0.342389D+01 -0.382417D+01 -0.262086D+01 -0.382110D+01
      2  -0.342389D+01  0.724874D+00  0.105460D+01 -0.382110D+01  0.133240D+01
      3  -0.382417D+01  0.105460D+01 -0.228649D+01  0.317779D+01 -0.307348D+01
                36            37            38            39            40 
      1   0.317779D+01 -0.305388D+00  0.442466D+00 -0.360513D+01 -0.103079D-01
      2  -0.307348D+01  0.442466D+00 -0.337413D+01 -0.388393D+01 -0.371231D+01
      3   0.972010D+00 -0.360513D+01 -0.388393D+01  0.296313D+01 -0.390458D+01
                41            42            43            44            45 
      1  -0.371231D+01 -0.390458D+01 -0.273396D+01 -0.386776D+01  0.264880D+01
      2   0.327382D+01  0.249023D+00 -0.386776D+01  0.104980D+01 -0.209558D+01
      3   0.249023D+00 -0.257517D+01  0.264880D+01 -0.209558D+01  0.382408D+00
                46            47            48            49            50 
      1  -0.765702D+00  0.432453D+00 -0.599098D+00  0.723672D+00  0.250382D+00
      2   0.432453D+00 -0.525100D+00  0.971439D+00  0.250382D+00  0.185531D+01
      3  -0.599098D+00  0.971439D+00 -0.213067D+01  0.343390D+00 -0.205997D+01
                51            52            53            54            55 
      1   0.343390D+00 -0.104907D+01  0.382927D+00 -0.338049D+00  0.317355D+01
      2  -0.205997D+01  0.382927D+00 -0.205930D+01  0.249238D+01 -0.180046D+01
      3   0.278013D+01 -0.338049D+00  0.249238D+01 -0.696616D+01 -0.101686D+01
                56            57            58            59            60 
      1  -0.180046D+01 -0.101686D+01 -0.322956D+01  0.271963D+01  0.172463D+01
      2   0.210035D+01  0.103381D+01  0.271963D+01 -0.442290D+01 -0.166370D+01
      3   0.103381D+01  0.881497D+00  0.172463D+01 -0.166370D+01 -0.192115D+01
                61            62            63            64            65 
      1  -0.700379D+00  0.958937D+00  0.903804D+00  0.492517D+01  0.237156D+01
      2   0.958937D+00 -0.109775D+01 -0.917079D+00  0.237156D+01  0.241388D+01
      3   0.903804D+00 -0.917079D+00 -0.168137D+01  0.838338D+00  0.700030D+00
                66            67            68            69            70 
      1   0.838338D+00  0.304024D+01  0.275383D+01  0.639917D+00  0.242109D+01
      2   0.700030D+00  0.275383D+01  0.305685D+01  0.374050D+00  0.135344D+01
      3   0.833591D+00  0.639917D+00  0.374050D+00  0.121656D+01  0.750880D+00
                71            72            73            74            75 
      1   0.135344D+01  0.750880D+00 -0.225497D+01  0.324614D+00 -0.160457D+01
      2   0.127069D+01  0.951896D+00  0.324614D+00 -0.270739D+00  0.636577D+00
      3   0.951896D+00  0.967085D+00 -0.160457D+01  0.636577D+00 -0.220421D+01
                76            77            78            79            80 
      1   0.135053D+01 -0.301515D+00  0.134459D+01 -0.216528D+01  0.563502D+00
      2  -0.301515D+00  0.895322D+00 -0.115039D+01  0.563502D+00 -0.143826D+01
      3   0.134459D+01 -0.115039D+01  0.233860D+01 -0.283999D+01  0.874455D+00
                81            82            83            84            85 
      1  -0.283999D+01 -0.606741D+01 -0.188820D+01  0.187538D+01 -0.121722D+01
      2   0.874455D+00 -0.188820D+01 -0.139890D+01  0.830900D+00 -0.106422D+01
      3  -0.632496D+01  0.187538D+01  0.830900D+00 -0.190011D+01  0.772836D+00
                86            87            88            89            90 
      1  -0.106422D+01  0.772836D+00  0.343669D+01  0.147405D+01 -0.196755D+01
      2  -0.150925D+01  0.476489D+00  0.147405D+01  0.136761D+01 -0.572573D+00
      3   0.476489D+00 -0.308379D+00 -0.196755D+01 -0.572573D+00  0.190084D+01
                91            92            93            94            95 
      1   0.110499D+01 -0.115475D+01 -0.191368D+00 -0.142002D+01  0.112322D+01
      2  -0.115475D+01  0.294887D+01  0.117931D+01  0.112322D+01 -0.732469D+01
      3  -0.191368D+00  0.117931D+01  0.814712D+00  0.530379D+00 -0.212657D+01
                96            97            98            99           100 
      1   0.530379D+00 -0.169874D+00  0.567625D+00  0.306168D-01 -0.199307D+01
      2  -0.212657D+01  0.567625D+00 -0.165511D+01 -0.133519D+01  0.138107D+01
      3  -0.161006D+01  0.306168D-01 -0.133519D+01 -0.148923D+01 -0.962094D+00
               101           102           103           104           105 
      1   0.138107D+01 -0.962094D+00  0.113059D+01 -0.101594D+01  0.105686D+01
      2  -0.108952D+01  0.110301D+01 -0.101594D+01  0.300765D+01 -0.176460D+01
      3   0.110301D+01 -0.148963D+01  0.105686D+01 -0.176460D+01  0.181246D+01
               106           107           108           109           110 
      1  -0.185725D+01  0.175891D+01 -0.183461D+01  0.211024D+01  0.167669D+01
      2   0.175891D+01 -0.333441D+01  0.245939D+01  0.167669D+01  0.354876D+01
      3  -0.183461D+01  0.245939D+01 -0.405671D+01  0.123699D+01  0.160022D+01
               111           112           113           114           115 
      1   0.123699D+01  0.142132D+01  0.173411D+01  0.963621D+00  0.124225D+01
      2   0.160022D+01  0.173411D+01  0.473217D+01  0.176519D+01  0.996252D+00
      3   0.137198D+01  0.963621D+00  0.176519D+01  0.175835D+01  0.589627D+00
               116           117           118           119           120 
      1   0.996252D+00  0.589627D+00 -0.544686D+01  0.592190D+00  0.291255D+01
      2   0.219708D+01  0.203064D+01  0.592190D+00 -0.973157D+00  0.115283D-01
      3   0.203064D+01  0.202494D+01  0.291255D+01  0.115283D-01 -0.277198D+01
               121           122           123           124           125 
      1  -0.845581D+00 -0.336166D+00  0.700766D+00  0.317899D+01 -0.642110D-01
      2  -0.336166D+00 -0.391008D+00  0.414315D+00 -0.642110D-01  0.969055D+00
      3   0.700766D+00  0.414315D+00 -0.416531D+00 -0.272304D+01  0.594068D+00
               126           127           128           129           130 
      1  -0.272304D+01  0.239656D+01 -0.210234D+01  0.451438D+00 -0.236375D+01
      2   0.594068D+00 -0.210234D+01  0.284836D+01  0.141089D+00  0.293200D+01
      3   0.323433D+01  0.451438D+00  0.141089D+00  0.521404D+00  0.742135D-01
               131           132           133           134           135 
      1   0.293200D+01  0.742135D-01 -0.436697D+00  0.790599D+00  0.182478D+00
      2  -0.661598D+01  0.362746D+00  0.790599D+00 -0.121678D+01 -0.539727D+00
      3   0.362746D+00 -0.120727D+01  0.182478D+00 -0.539727D+00 -0.500974D+00
               136           137           138           139           140 
      1  -0.318069D+01 -0.923516D+00  0.252750D+01 -0.648291D+00 -0.451712D+00
      2  -0.923516D+00 -0.123497D+01  0.149292D+01 -0.451712D+00 -0.132302D+01
      3   0.252750D+01  0.149292D+01 -0.402702D+01  0.843967D+00  0.112493D+01
               141           142           143           144           145 
      1   0.843967D+00  0.205792D+01  0.877991D+00 -0.218729D+01  0.379998D+01
      2   0.112493D+01  0.877991D+00  0.109974D+01 -0.113457D+01  0.120317D+01
      3  -0.876995D+00 -0.218729D+01 -0.113457D+01  0.474266D+01  0.256412D+01
               146           147           148           149           150 
      1   0.120317D+01  0.256412D+01  0.221600D+01  0.166176D+01  0.177354D+01
      2   0.170088D+01  0.106880D+01  0.166176D+01  0.185368D+01  0.122106D+01
      3   0.106880D+01  0.230136D+01  0.177354D+01  0.122106D+01  0.265054D+01
               151           152           153 
      1   0.198229D+01  0.993855D+00  0.165362D+01
      2   0.993855D+00  0.920519D+00  0.119409D+01
      3   0.165362D+01  0.119409D+01  0.307000D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.920009D-02  0.127282D-02  0.604931D-02  0.117828D-01 -0.132035D-01
      2  -0.835468D-02  0.146852D-02  0.478289D+01  0.152343D-02  0.554566D-03
      3  -0.327089D-01 -0.478072D+01 -0.132355D-01  0.476829D+01 -0.223879D-01
                 6             7             8             9            10 
      1  -0.478687D+01  0.174923D-01  0.476465D+01 -0.265355D-02  0.107291D+01
      2   0.481403D-02 -0.476000D+01 -0.109823D-01  0.102388D-01 -0.617876D+01
      3  -0.120872D-01  0.465095D-02 -0.784124D-02 -0.634690D-02 -0.811850D+00
                11            12            13            14            15 
      1   0.607851D+01  0.334815D+01  0.751682D+01 -0.175560D+01 -0.391376D+01
      2  -0.560753D+01  0.307180D+01 -0.523939D+01 -0.238154D+01 -0.717163D+01
      3   0.377185D+01  0.454059D+01  0.909121D+01 -0.298178D+01 -0.514274D+01
                16            17            18            19            20 
      1   0.383252D+01  0.875991D+00  0.701815D+00 -0.296118D+01 -0.179629D+01
      2  -0.331926D+01 -0.759895D+01  0.852624D+01  0.579913D+01  0.557024D+01
      3   0.411380D+01 -0.364245D+01  0.377551D+01 -0.364720D+01 -0.669266D+01
                21            22            23            24            25 
      1   0.663305D+01 -0.272794D+01 -0.254662D+01 -0.512716D+01  0.782517D+01
      2  -0.332921D+01  0.469213D+01 -0.393280D+01 -0.133204D+01 -0.865751D+01
      3  -0.260897D+01 -0.755820D+00  0.894510D+01  0.666354D+01 -0.172515D+01
                26            27            28            29            30 
      1   0.183350D+00  0.551236D+01  0.409531D+01  0.421148D+01 -0.642534D+01
      2  -0.256971D+01 -0.192702D+01  0.109712D+01  0.415047D+01  0.587439D+00
      3   0.568472D+01 -0.525572D+01  0.391231D+01 -0.782245D+01 -0.824862D+01
                31            32            33            34            35 
      1   0.458314D+01 -0.211201D+01  0.303378D+01 -0.761826D+01  0.882323D+01
      2   0.349385D+01  0.664863D+00  0.419869D+01 -0.374335D+01  0.538271D+01
      3  -0.152317D+01 -0.618636D+01 -0.525383D+01 -0.748637D+01 -0.484671D+01
                36            37            38            39            40 
      1  -0.202306D+01 -0.219650D+01 -0.847147D+01 -0.356382D+01 -0.935067D+01
      2  -0.178442D+01 -0.735046D+00 -0.412514D+01  0.105484D+02 -0.300130D+01
      3   0.224038D+01  0.566976D+00 -0.218885D+00  0.632437D+01  0.420322D+01
                41            42            43            44            45 
      1   0.647481D+01 -0.488392D+01 -0.400955D+01  0.126719D+01 -0.424646D+01
      2   0.564079D+01  0.432068D+01  0.455690D+01  0.478095D+01 -0.484146D+01
      3   0.207449D+00  0.370863D+01  0.515030D+01  0.278067D+01 -0.774099D+00
                46            47            48            49            50 
      1  -0.301626D+00  0.905641D+00  0.130702D+00 -0.346088D+00 -0.215414D+01
      2  -0.266788D+01  0.161458D+01 -0.214278D+01  0.264559D+01 -0.232713D+01
      3  -0.136361D+01 -0.439512D-01 -0.131819D+01  0.144426D+01 -0.195907D+01
                51            52            53            54            55 
      1  -0.157079D+00 -0.378383D+00  0.395643D+01  0.708085D+00  0.238492D+01
      2   0.422031D+01 -0.491571D+01  0.400016D+01 -0.934519D+01  0.238903D+01
      3   0.266314D+01 -0.215356D+01  0.277646D+01 -0.362872D+01  0.257122D+01
                56            57            58            59            60 
      1  -0.356844D+01 -0.733604D+00 -0.327039D+01  0.653064D+01 -0.146059D-01
      2  -0.540606D+00  0.162401D+01 -0.196724D+01  0.840395D+00 -0.193326D+01
      3  -0.540854D+01 -0.183735D+01 -0.221599D+01  0.852376D+01  0.243629D+01
                61            62            63            64            65 
      1  -0.146661D+01  0.269272D+01  0.953611D+00 -0.301620D+01 -0.276910D+01
      2  -0.812064D+00  0.142680D-01 -0.150554D+01  0.591401D+01  0.384566D+01
      3  -0.134757D+01  0.253511D+01  0.145855D+01 -0.406872D+00 -0.455322D+01
                66            67            68            69            70 
      1  -0.236120D+01 -0.305356D+01 -0.291055D+01 -0.289719D+01 -0.155126D+01
      2   0.447408D+01  0.393356D+01  0.354990D+01  0.401539D+01  0.210037D+01
      3  -0.836685D+00 -0.722199D+00 -0.405026D+01 -0.482298D+00 -0.131893D+00
                71            72            73            74            75 
      1  -0.757745D+00 -0.218897D+01 -0.194475D+01  0.187900D+01 -0.309118D+01
      2   0.265785D+01  0.316218D+01 -0.755365D+00 -0.562326D+00  0.272085D+01
      3  -0.200339D+01 -0.111485D+01  0.231155D+01 -0.197821D+01  0.250196D+01
                76            77            78            79            80 
      1   0.131771D+01 -0.307015D+01  0.230329D+01 -0.340244D+01  0.523078D+01
      2   0.589034D+00  0.119152D+01 -0.203603D+01 -0.110310D+01 -0.877570D+00
      3  -0.426116D+00  0.200653D+01 -0.250541D+01  0.250939D+01 -0.366082D+01
                81            82            83            84            85 
      1  -0.703453D+01  0.370321D+01  0.116614D+01 -0.380605D+01  0.167526D+01
      2   0.580256D+01 -0.609266D+01 -0.235648D+01  0.665838D+01 -0.196498D+01
      3   0.428333D+01  0.494511D+01 -0.196581D+01 -0.133859D+01  0.138167D+01
                86            87            88            89            90 
      1   0.121739D+01 -0.170830D+01 -0.305037D+01  0.219521D-01  0.318150D+01
      2  -0.125566D+01  0.160210D+01  0.335046D+01  0.141152D+01 -0.524501D+01
      3  -0.101277D+01 -0.430368D+00 -0.250960D+01  0.131991D+01  0.164375D+01
                91            92            93            94            95 
      1   0.816737D+00 -0.139857D+01  0.995310D+00 -0.540933D+00  0.421897D+01
      2   0.163735D+01 -0.200562D+01  0.159941D+00 -0.279405D+01  0.350013D+01
      3  -0.385299D+01  0.319816D+01  0.118809D+01  0.626767D+01 -0.900961D+01
                96            97            98            99           100 
      1  -0.274591D+01 -0.468397D+00  0.110868D+01 -0.110161D+01  0.188921D+01
      2   0.170675D+01 -0.121668D+01  0.180443D+01  0.128602D+01  0.852460D+00
      3  -0.295572D+01  0.157989D+01 -0.269074D+01 -0.134439D+01 -0.217342D+01
               101           102           103           104           105 
      1  -0.170885D+01  0.370338D+01 -0.223613D+01  0.306025D+01 -0.540937D+01
      2  -0.146721D+01  0.298388D+01 -0.750979D+00  0.197407D+01 -0.280854D+01
      3  -0.199429D+00 -0.409567D+00  0.239538D+01  0.134754D+01  0.271819D+00
               106           107           108           109           110 
      1   0.326375D+01 -0.247376D+01  0.876336D+01 -0.121095D+01  0.367215D-02
      2   0.111610D+00 -0.249151D+01  0.529970D+01 -0.287917D+01 -0.186651D+01
      3  -0.248029D+01 -0.103138D+01 -0.772795D+00  0.607116D+01  0.335018D+01
               111           112           113           114           115 
      1  -0.250108D+01 -0.862313D+00  0.130168D+00 -0.390811D+01 -0.505113D+00
      2  -0.214774D+00 -0.246428D+01 -0.233502D+01 -0.131357D+01 -0.248305D+01
      3   0.307514D+01  0.606857D+01  0.568316D+01  0.319385D+01  0.401078D+01
               116           117           118           119           120 
      1  -0.536968D+00 -0.275724D+01 -0.425460D+01 -0.200137D+01  0.451093D+01
      2  -0.191938D+01 -0.122115D+01  0.113955D+01 -0.344616D+00  0.333142D+01
      3   0.292336D+01  0.243062D+01 -0.751801D+01 -0.276830D+01  0.459252D+01
               121           122           123           124           125 
      1  -0.940905D+00 -0.123025D+01 -0.729175D-01  0.397854D+01  0.172694D+01
      2   0.103210D+00 -0.220265D+00  0.347378D+00 -0.896139D+00 -0.375417D+00
      3  -0.423913D+00 -0.140695D+01  0.116159D+01  0.505403D+01  0.236528D+01
               126           127           128           129           130 
      1  -0.436058D+01 -0.260273D+01  0.463307D+01  0.193703D+01  0.442281D+01
      2  -0.258985D+01 -0.285384D+01  0.305750D+01  0.131327D+01  0.357924D+01
      3  -0.361082D+01 -0.153095D+01 -0.165286D+01 -0.464448D+00  0.256225D+01
               131           132           133           134           135 
      1  -0.924539D+01 -0.375625D+01  0.100757D+01 -0.110214D+01 -0.192639D+01
      2  -0.424157D+01 -0.232725D+01 -0.189785D+00 -0.124814D+01 -0.103938D+01
      3   0.291563D+01 -0.189084D+00  0.341446D+00  0.397564D+00  0.245846D+00
               136           137           138           139           140 
      1   0.694997D+00 -0.201009D+01 -0.146959D+01  0.146141D+00 -0.136980D+01
      2   0.803401D+01  0.193011D+01 -0.384936D+01  0.214802D+01  0.115236D+01
      3   0.380880D+01 -0.505615D+00 -0.262513D+01  0.174173D+01  0.633169D+00
               141           142           143           144           145 
      1  -0.268752D+00 -0.463065D+00  0.268207D+01  0.237232D+01  0.382204D+01
      2  -0.175393D+01 -0.694815D+01 -0.206945D+01  0.520193D+01 -0.468865D+01
      3  -0.129078D+01 -0.298006D+01 -0.511577D+00  0.253240D+01 -0.285040D+01
               146           147           148           149           150 
      1   0.484539D+01  0.268725D+01  0.365232D+01  0.477436D+01  0.183112D+01
      2  -0.129284D+01 -0.238233D+00 -0.300393D+01 -0.182061D+01  0.260134D+00
      3  -0.420388D+01 -0.252281D+01 -0.137890D+01 -0.363255D+01 -0.183387D+01
               151           152           153 
      1   0.298927D+01  0.401095D+01  0.344938D+01
      2  -0.355267D+01 -0.891379D+00  0.207475D+00
      3  -0.194981D+01 -0.238818D+01 -0.210265D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.433642D+01 -0.297094D+01  0.269985D+01 -0.300880D+01 -0.168934D+01
      2  -0.176486D+01  0.318519D+01 -0.132317D+01  0.320536D+01  0.157988D+01
      3  -0.257155D+01 -0.214254D+00 -0.137668D+01 -0.196565D+00  0.109460D+00
      4  -0.307912D+01 -0.242042D+01 -0.898129D+00 -0.245100D+01  0.323577D+01
      5   0.278334D+01 -0.859789D+00 -0.324693D+01 -0.865373D+00 -0.129267D+01
      6  -0.895843D+00 -0.126412D+01 -0.301024D+00 -0.129582D+01 -0.374358D+01
                 6             7             8             9            10 
      1  -0.886666D+00  0.276554D+01 -0.847195D+00 -0.255144D+01 -0.513108D+01
      2  -0.372400D+01 -0.125925D+01 -0.377792D+01  0.148968D+00 -0.392709D+01
      3   0.461067D+01 -0.150629D+01  0.462511D+01  0.240247D+01  0.905816D+01
      4  -0.131284D+01 -0.878317D+00 -0.121723D+01 -0.166648D+00 -0.130871D+01
      5  -0.170881D+00 -0.329913D+01 -0.165752D+00 -0.145907D+01 -0.603088D+01
      6  -0.620140D+00 -0.163266D+00 -0.596655D+00  0.460018D+01 -0.407408D+01
                11            12            13            14            15 
      1  -0.430216D+01 -0.192213D+01 -0.433295D+01 -0.804265D+01 -0.139387D+02
      2  -0.601532D+01  0.365724D+01 -0.509509D+01  0.500739D+01  0.158036D+01
      3   0.103175D+02 -0.173511D+01  0.942804D+01  0.303526D+01  0.123584D+02
      4  -0.120878D+02 -0.979634D+01 -0.134498D+02  0.257611D+01  0.176788D+01
      5  -0.848523D+01  0.617200D+01 -0.945516D+01  0.667405D+01  0.298669D+01
      6   0.385672D+01  0.864078D+01  0.471592D+01 -0.384043D+01 -0.702924D+01
                16            17            18            19            20 
      1  -0.305314D+01 -0.140943D+02  0.134162D+02 -0.830738D+01 -0.913157D+01
      2   0.310208D+01  0.217276D+01 -0.145014D+01  0.242940D+01  0.666421D+01
      3  -0.489332D-01  0.119216D+02 -0.119661D+02  0.587799D+01  0.246736D+01
      4  -0.110528D+02  0.226846D+00 -0.105269D+01 -0.365478D+01  0.175138D+01
      5   0.626116D+01  0.217432D+01 -0.124587D+01  0.542873D+01  0.709567D+01
      6   0.685929D+01 -0.670409D+01  0.775471D+01  0.649832D+01  0.109738D+02
                21            22            23            24            25 
      1   0.521640D+01 -0.848373D+01  0.135511D+02  0.892000D+01  0.637366D+01
      2   0.854262D+01  0.464257D+01 -0.136622D+02 -0.111738D+02  0.748129D+01
      3  -0.137590D+02  0.384117D+01  0.111119D+00  0.225380D+01 -0.138549D+02
      4   0.107823D+02  0.267104D+01  0.353746D+01  0.460297D+01  0.118031D+02
      5  -0.561581D+01  0.754437D+01  0.396575D+01  0.842191D+01 -0.704415D+01
      6   0.503896D+00  0.946761D+01 -0.724486D+01 -0.147760D+01  0.116945D+00
                26            27            28            29            30 
      1   0.956532D+01 -0.511378D+01 -0.306770D+01  0.719978D+01  0.108949D+02
      2  -0.105840D+02  0.112812D+02  0.489084D+01 -0.939337D+01 -0.166590D+02
      3   0.101864D+01 -0.616739D+01 -0.182314D+01  0.219359D+01  0.576411D+01
      4   0.499194D+01  0.669840D+00  0.205928D+01 -0.689557D+00 -0.221753D+01
      5   0.663761D+01 -0.893125D+01  0.655216D+01  0.284366D+01 -0.102024D+02
      6  -0.789297D+00  0.117214D+01 -0.536566D+01 -0.133105D+02  0.392234D+01
                31            32            33            34            35 
      1   0.657754D+01  0.494540D+01  0.569237D+01  0.111524D+02  0.460259D+01
      2  -0.819870D+01 -0.165085D+01 -0.292283D+00 -0.163559D+02  0.924690D-01
      3   0.162116D+01 -0.329454D+01 -0.540009D+01  0.520342D+01 -0.469506D+01
      4   0.210256D+00 -0.104959D+02 -0.112757D+02 -0.124505D+01 -0.122651D+02
      5   0.475019D+01 -0.671713D+01  0.626562D+00 -0.104235D+02  0.215988D+01
      6  -0.121176D+02  0.250691D+01 -0.844806D+01  0.493630D+01 -0.947625D+01
                36            37            38            39            40 
      1  -0.203754D+01  0.296253D+01  0.171881D+01 -0.100494D+02  0.171994D+01
      2  -0.274916D+01  0.402942D+01  0.137005D+02  0.250887D+01  0.135156D+02
      3   0.478670D+01 -0.699195D+01 -0.154194D+02  0.754049D+01 -0.152355D+02
      4   0.786735D+01 -0.156096D+01 -0.753635D+01  0.112813D-01 -0.800072D+01
      5  -0.400924D-01 -0.170159D+01 -0.272697D+01 -0.102429D+02 -0.405591D+01
      6   0.324902D+01  0.171170D+01 -0.334623D+01 -0.134565D+02 -0.399640D+01
                41            42            43            44            45 
      1  -0.312123D+01 -0.194970D+01 -0.104266D+02 -0.140524D+01 -0.296154D+00
      2  -0.724799D+01  0.425774D+01  0.381540D+01  0.288793D+01  0.292236D+01
      3   0.103692D+02 -0.230805D+01  0.661122D+01 -0.148269D+01 -0.262620D+01
      4   0.923447D+01  0.300246D+01 -0.760968D+00  0.505761D+01 -0.787859D+01
      5  -0.582130D+01 -0.124025D+02 -0.837159D+01 -0.113558D+02  0.804453D+01
      6   0.306594D+01  0.120999D+01 -0.123043D+02  0.142665D+01 -0.537339D+01
                46            47            48            49            50 
      1  -0.165766D+01  0.327056D+01 -0.561909D+01  0.285025D+01 -0.590693D+01
      2  -0.360419D+00 -0.103950D+01 -0.165199D+01 -0.863493D+00  0.238944D+01
      3   0.201808D+01 -0.223106D+01  0.727107D+01 -0.198676D+01  0.351749D+01
      4  -0.809745D+00  0.213589D+01 -0.155653D+00  0.366448D+01  0.230280D+01
      5   0.304582D+01 -0.683698D+00  0.273751D+01 -0.176585D+01 -0.263729D+01
      6  -0.182678D+01  0.297952D+01 -0.391573D+01  0.285485D+00 -0.872651D+01
                51            52            53            54            55 
      1   0.938113D+01 -0.411340D+01  0.894941D+01 -0.195290D+02  0.125758D+02
      2   0.245027D+00  0.105943D+01 -0.321706D+00 -0.101183D+02 -0.710708D+01
      3  -0.962616D+01  0.305397D+01 -0.862770D+01  0.296473D+02 -0.546869D+01
      4  -0.282078D+01 -0.852118D+00 -0.342850D+01  0.353193D+01 -0.774067D+01
      5   0.365990D+01  0.557488D+01  0.300009D+01 -0.900786D+01 -0.929062D+01
      6   0.115237D+02 -0.133104D+01  0.114869D+02 -0.152173D+02  0.468435D+01
                56            57            58            59            60 
      1  -0.558632D+01 -0.284011D+01 -0.894191D+01  0.285346D+01  0.134329D+01
      2   0.421542D+01  0.385410D+01  0.591988D+01  0.943405D+00 -0.394913D+01
      3   0.137089D+01 -0.101398D+01  0.302203D+01 -0.379686D+01  0.260584D+01
      4   0.103152D+02  0.399806D+01  0.118121D+02 -0.153942D+02 -0.490331D+01
      5   0.661205D+01  0.688954D+01  0.100481D+02 -0.750747D+01 -0.874144D+01
      6  -0.515988D+01 -0.340533D+01 -0.616939D+01  0.117819D+02  0.729283D+01
                61            62            63            64            65 
      1  -0.191110D+01  0.158542D+01 -0.122630D+01  0.218111D+02  0.874872D+01
      2   0.348892D+01 -0.261346D+01 -0.362194D+01 -0.603590D+01  0.100733D+01
      3  -0.157782D+01  0.102804D+01  0.484824D+01 -0.157752D+02 -0.975605D+01
      4   0.352834D+01 -0.346577D+01 -0.345231D+01  0.145938D+02  0.132972D+02
      5   0.651648D+01 -0.532077D+01 -0.641571D+01 -0.174183D+01 -0.119957D-01
      6  -0.362264D+01  0.622590D+01  0.299908D+01 -0.149263D+01 -0.271121D+01
                66            67            68            69            70 
      1   0.393493D+01  0.105833D+02  0.485637D+01  0.298653D+01  0.810893D+01
      2  -0.169656D+00  0.454439D+00  0.561595D+01  0.172714D+01 -0.213270D+01
      3  -0.376528D+01 -0.110378D+02 -0.104723D+02 -0.471366D+01 -0.597624D+01
      4   0.337027D+01  0.144706D+02  0.136064D+02  0.223702D+01  0.622876D+01
      5   0.465290D+01 -0.860080D+00 -0.946561D+00  0.369894D+01  0.325877D+01
      6   0.647200D+00 -0.249471D+01 -0.176893D+01  0.346212D+01  0.525529D+00
                71            72            73            74            75 
      1   0.324883D+01  0.136134D+01  0.705485D+01 -0.529248D+00  0.309161D+01
      2   0.216324D+01 -0.107055D+00 -0.783319D+01  0.156417D+01 -0.840700D+01
      3  -0.541207D+01 -0.125428D+01  0.778332D+00 -0.103492D+01  0.531539D+01
      4   0.541789D+01  0.354571D+01  0.128847D+01  0.278689D+01 -0.560153D+00
      5   0.248957D+01  0.461390D+01  0.938102D+01 -0.274942D+01  0.122726D+02
      6   0.218559D+01  0.120880D+01  0.222177D+00  0.410956D+00  0.195078D+01
                76            77            78            79            80 
      1  -0.257105D+01 -0.148086D+01 -0.365353D+00  0.387394D+01 -0.153536D+01
      2   0.342446D+01 -0.947627D+00  0.709036D+01 -0.983388D+01  0.560719D+01
      3  -0.853416D+00  0.242849D+01 -0.672500D+01  0.595994D+01 -0.407182D+01
      4   0.189419D+01 -0.374131D+01  0.256599D+01  0.360294D+00  0.373003D+01
      5  -0.578673D+01  0.305564D+01 -0.690584D+01  0.141532D+02 -0.320249D+01
      6   0.452859D+00 -0.260296D+01  0.324830D+01  0.214227D+01  0.502786D+01
                81            82            83            84            85 
      1  -0.334203D+01  0.253468D+02  0.552460D+01 -0.766175D+01  0.416053D+01
      2  -0.184377D+02 -0.794194D+01  0.148641D+01  0.770814D+00  0.154147D+01
      3   0.217797D+02 -0.174049D+02 -0.701101D+01  0.689093D+01 -0.570201D+01
      4  -0.783098D-01  0.167576D+02  0.104367D+02 -0.571068D+01  0.886478D+01
      5   0.205179D+02 -0.386994D+01 -0.135012D+01  0.751483D+01 -0.116303D+01
      6   0.410173D+01 -0.377310D+01 -0.190816D+01  0.439130D+01 -0.229877D+01
                86            87            88            89            90 
      1   0.794823D+00 -0.176135D+01 -0.114933D+02 -0.195518D+01  0.479584D+01
      2   0.424404D+01 -0.138578D+00  0.258503D+01 -0.169450D+01 -0.308330D+01
      3  -0.503886D+01  0.189992D+01  0.890829D+01  0.364968D+01 -0.171254D+01
      4   0.621078D+01 -0.380979D+01 -0.910573D+01 -0.692097D+01  0.436296D+01
      5  -0.174233D+01  0.597124D+00  0.697352D+01  0.137087D+01 -0.672413D+01
      6  -0.327087D+00  0.297877D+01  0.408601D+01  0.292134D+01 -0.564159D+01
                91            92            93            94            95 
      1  -0.186368D+01  0.809586D+01  0.246411D+01  0.612780D+01 -0.213797D+02
      2   0.358173D+01 -0.102240D+02 -0.197525D+01 -0.577740D+01  0.313973D+02
      3  -0.171805D+01  0.212816D+01 -0.488856D+00 -0.350404D+00 -0.100176D+02
      4  -0.398582D+01  0.369732D+01  0.121714D+00  0.574259D+01  0.414260D+01
      5  -0.313858D+01  0.156707D+01  0.190758D+01  0.236278D+01 -0.320645D+00
      6   0.207473D+01 -0.629562D+01 -0.464899D+01 -0.306639D+01  0.172171D+02
                96            97            98            99           100 
      1  -0.783880D+01  0.106068D+01 -0.689758D+01 -0.477347D+01  0.438851D+01
      2   0.671337D+01 -0.158857D+01  0.581954D+01  0.189799D+01  0.244186D+00
      3   0.112543D+01  0.527887D+00  0.107804D+01  0.287548D+01 -0.463269D+01
      4   0.112635D+01  0.148253D+00  0.981742D+00  0.246303D+00 -0.835372D+01
      5   0.569552D+00  0.283393D+01 -0.168669D+00  0.141470D+01  0.325318D+01
      6   0.109207D+02 -0.181481D+01  0.974950D+01  0.649674D+01 -0.344467D+01
               101           102           103           104           105 
      1  -0.152908D+01  0.935188D+00 -0.115157D+01 -0.534002D+01  0.169634D+01
      2  -0.320171D+01  0.240904D+01 -0.327418D+01  0.131613D+02 -0.621880D+01
      3   0.473079D+01 -0.334422D+01  0.442575D+01 -0.782132D+01  0.452246D+01
      4   0.831300D+01 -0.519588D+01  0.769252D+01 -0.861868D+01  0.665734D+01
      5  -0.293498D+01  0.650180D+01 -0.250308D+01  0.405753D+01 -0.361820D+01
      6   0.442282D+01 -0.508497D+01  0.453865D+01 -0.758544D+01  0.953741D+01
               106           107           108           109           110 
      1   0.213675D+01  0.373265D+01 -0.264556D+01 -0.234930D+01 -0.858670D+01
      2   0.239249D+01 -0.102574D+02  0.277103D+01  0.389825D+01  0.129866D+02
      3  -0.452924D+01  0.652479D+01 -0.125468D+00 -0.154895D+01 -0.439990D+01
      4  -0.850761D+01  0.993883D+01 -0.752481D+01  0.899513D+01  0.695303D+01
      5   0.698650D+01 -0.468401D+01  0.915094D+01  0.304973D+01  0.172666D+01
      6  -0.586012D+01  0.111015D+02 -0.153581D+02  0.509958D+01  0.837538D+01
               111           112           113           114           115 
      1  -0.540933D+01 -0.589545D+01 -0.152148D+02 -0.753368D+01 -0.442430D+01
      2   0.403930D+01  0.773741D+01  0.228829D+02  0.715271D+01  0.357948D+01
      3   0.137003D+01 -0.184196D+01 -0.766815D+01  0.380961D+00  0.844826D+00
      4   0.373187D+01  0.701946D+01  0.486994D+01  0.291088D+01  0.409261D+01
      5   0.354341D+01  0.138702D+01  0.152952D+01  0.668810D-01  0.410700D+01
      6   0.673832D+01  0.546412D+01  0.123273D+02  0.106592D+02  0.361523D+01
               116           117           118           119           120 
      1  -0.839710D+01 -0.681097D+01  0.181485D+02  0.517351D+00 -0.701502D+01
      2   0.834538D+01  0.375683D+01 -0.131473D+02 -0.255856D+01  0.949021D+01
      3   0.517183D-01  0.305414D+01 -0.500119D+01  0.204121D+01 -0.247519D+01
      4   0.266389D+01  0.150062D+01 -0.115050D+02  0.627674D+01  0.605262D+01
      5   0.439999D+00  0.118043D+01 -0.154217D+02  0.801613D+00  0.131711D+02
      6   0.115273D+02  0.962268D+01  0.638958D+01 -0.185863D+01 -0.663555D+01
               121           122           123           124           125 
      1   0.281052D+01  0.775172D+00 -0.124105D+01 -0.787001D+01 -0.164186D+01
      2  -0.303439D+01 -0.854123D+00  0.296522D+01  0.968321D+01  0.290203D+01
      3   0.223864D+00  0.789516D-01 -0.172417D+01 -0.181320D+01 -0.126017D+01
      4   0.316602D+01  0.107869D+01 -0.102862D+01  0.699964D+01 -0.270511D+01
      5  -0.196219D+01 -0.174677D+01  0.165541D+01  0.132339D+02 -0.119454D+01
      6  -0.636735D+00 -0.166148D+00  0.270049D+01 -0.593503D+01  0.501633D+01
               126           127           128           129           130 
      1   0.182806D+01  0.477401D+01 -0.178086D+01 -0.297681D+00 -0.236099D+01
      2  -0.838019D+01  0.161542D+01 -0.721832D+01 -0.115186D+01 -0.690888D+01
      3   0.655213D+01 -0.638943D+01  0.899919D+01  0.144955D+01  0.926987D+01
      4  -0.570067D+01 -0.999657D+01  0.122430D+02 -0.320392D+00  0.128680D+02
      5  -0.126044D+02  0.453430D+01 -0.356116D+01  0.427595D+01 -0.464306D+01
      6   0.672025D+01 -0.381559D+01  0.600269D+01 -0.141196D+01  0.577524D+01
               131           132           133           134           135 
      1  -0.619047D+01  0.243627D+01 -0.107773D+01  0.366999D+00 -0.417060D+00
      2   0.227616D+02  0.138706D+01 -0.969496D+00  0.401358D+01  0.156550D+01
      3  -0.165712D+02 -0.382332D+01  0.204723D+01 -0.438058D+01 -0.114844D+01
      4  -0.174236D+02  0.452973D+00  0.231508D+01 -0.257298D+01 -0.155848D+01
      5   0.541978D+01 -0.224824D+01  0.236848D+01 -0.824700D+00 -0.127683D+01
      6  -0.127653D+02  0.625439D+01 -0.406643D+00  0.303563D+01  0.106436D+01
               136           137           138           139           140 
      1  -0.199714D+01 -0.361237D+01  0.903007D+01 -0.234661D+01 -0.346949D+01
      2  -0.414726D+01  0.515170D+00  0.547910D+01 -0.345264D+00  0.240334D+01
      3   0.614440D+01  0.309720D+01 -0.145092D+02  0.269187D+01  0.106615D+01
      4   0.635827D+01  0.430158D+01 -0.384088D+01  0.421770D+01  0.783860D+00
      5  -0.125796D+02 -0.274432D+01  0.107407D+02 -0.196942D+01 -0.197091D+01
      6  -0.498305D+01 -0.676324D+01  0.903339D+01 -0.362053D+01 -0.575589D+01
               141           142           143           144           145 
      1   0.453300D+01  0.648378D+01  0.488746D+01 -0.133407D+02  0.957368D+01
      2  -0.106410D+01  0.281897D+01 -0.677498D+00 -0.912299D+01 -0.117233D+02
      3  -0.346890D+01 -0.930276D+01 -0.420996D+01  0.224637D+02  0.214962D+01
      4  -0.218018D+01 -0.338234D+01 -0.184378D+01  0.382136D+01  0.194487D+01
      5   0.285074D+01  0.985940D+01  0.307815D+01 -0.839339D+01  0.157515D+02
      6   0.752331D+01  0.586281D+01  0.773460D+01 -0.106329D+02  0.299097D+01
               146           147           148           149           150 
      1   0.295671D+01  0.255416D+01  0.426154D+01  0.762514D+00 -0.147672D+01
      2  -0.567583D+01 -0.941672D+01 -0.694066D+01 -0.143056D+01 -0.655203D+01
      3   0.271912D+01  0.686256D+01  0.267911D+01  0.668047D+00  0.802875D+01
      4   0.517118D+01  0.632202D+00  0.455654D+01  0.409710D+01  0.201246D+01
      5   0.546564D+01  0.138903D+02  0.893738D+01  0.600080D+01  0.895339D+01
      6   0.559570D+01  0.303205D+01  0.500151D+01  0.763273D+01  0.522598D+01
               151           152           153 
      1   0.241051D+01 -0.167959D+00 -0.262557D+01
      2  -0.786991D+01 -0.408077D+01 -0.105812D+02
      3   0.545939D+01  0.424873D+01  0.132067D+02
      4   0.308817D+00  0.141065D+01  0.186645D+01
      5   0.119599D+02  0.556861D+01  0.111812D+02
      6   0.329584D+01  0.507215D+01  0.323823D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:54:51 2022, MaxMem=  5368709120 cpu:            2248.5 elap:             281.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30554 -10.28059 -10.28059 -10.28059 -10.28057
 Alpha  occ. eigenvalues --   -0.91517  -0.77371  -0.77371  -0.77370  -0.61954
 Alpha  occ. eigenvalues --   -0.53579  -0.53579  -0.53579  -0.48481  -0.48481
 Alpha  occ. eigenvalues --   -0.44415  -0.44415  -0.44415  -0.40064  -0.40064
 Alpha  occ. eigenvalues --   -0.40063
 Alpha virt. eigenvalues --    0.08380   0.12436   0.12436   0.12436   0.15639
 Alpha virt. eigenvalues --    0.15639   0.15639   0.17670   0.19304   0.19304
 Alpha virt. eigenvalues --    0.22049   0.22049   0.22050   0.23358   0.23358
 Alpha virt. eigenvalues --    0.23359   0.24201   0.24201   0.28630   0.28631
 Alpha virt. eigenvalues --    0.28631   0.33093   0.33094   0.33094   0.35279
 Alpha virt. eigenvalues --    0.35280   0.35280   0.35577   0.37444   0.40277
 Alpha virt. eigenvalues --    0.40278   0.40278   0.41548   0.41548   0.41548
 Alpha virt. eigenvalues --    0.43362   0.43362   0.44967   0.44968   0.44968
 Alpha virt. eigenvalues --    0.45620   0.45620   0.45620   0.46225   0.47678
 Alpha virt. eigenvalues --    0.47678   0.49486   0.49486   0.49487   0.53558
 Alpha virt. eigenvalues --    0.54046   0.54046   0.54046   0.55084   0.55084
 Alpha virt. eigenvalues --    0.57392   0.57392   0.57393   0.59426   0.59426
 Alpha virt. eigenvalues --    0.59427   0.61862   0.62252   0.62252   0.62252
 Alpha virt. eigenvalues --    0.64941   0.64941   0.64941   0.70867   0.70867
 Alpha virt. eigenvalues --    0.70868   0.70926   0.72175   0.72175   0.72374
 Alpha virt. eigenvalues --    0.72375   0.72375   0.80269   0.80270   0.86531
 Alpha virt. eigenvalues --    0.86532   0.86532   0.89994   0.96163   0.96164
 Alpha virt. eigenvalues --    0.96164   1.03720   1.03720   1.03721   1.05131
 Alpha virt. eigenvalues --    1.08658   1.08658   1.08660   1.11905   1.11905
 Alpha virt. eigenvalues --    1.11905   1.14463   1.14463   1.29175   1.29176
 Alpha virt. eigenvalues --    1.29178   1.31645   1.40987   1.40987   1.40987
 Alpha virt. eigenvalues --    1.42576   1.43387   1.43387   1.43390   1.47661
 Alpha virt. eigenvalues --    1.47664   1.47665   1.57454   1.57457   1.67440
 Alpha virt. eigenvalues --    1.67443   1.67444   1.75208   1.75208   1.79165
 Alpha virt. eigenvalues --    1.88456   1.88458   1.92069   1.92070   1.92070
 Alpha virt. eigenvalues --    1.92745   1.92749   1.92750   1.98442   1.98447
 Alpha virt. eigenvalues --    1.98450   2.09677   2.09677   2.09678   2.13262
 Alpha virt. eigenvalues --    2.13263   2.13265   2.19168   2.19172   2.21998
 Alpha virt. eigenvalues --    2.22000   2.22001   2.23398   2.33109   2.33110
 Alpha virt. eigenvalues --    2.33110   2.42906   2.42907   2.48841   2.48842
 Alpha virt. eigenvalues --    2.48844   2.51861   2.64410   2.64412   2.64412
 Alpha virt. eigenvalues --    2.69362   2.69362   2.69364   2.77455   2.77456
 Alpha virt. eigenvalues --    2.80304   2.80307   2.80307   2.95376   3.11052
 Alpha virt. eigenvalues --    3.11055   3.11057   3.21554   3.21555   3.21558
 Alpha virt. eigenvalues --    3.23015   3.23016   3.23018   3.33964   3.33967
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   11.691648  -0.033807  -0.033785  -0.033854  -0.033402   0.045484
     2  C   -0.033807   4.446590  -0.045799  -0.045797  -0.045807   0.178831
     3  C   -0.033785  -0.045799   4.446554  -0.045787  -0.045819   0.000730
     4  C   -0.033854  -0.045797  -0.045787   4.446622  -0.045820   0.000764
     5  C   -0.033402  -0.045807  -0.045819  -0.045820   4.446309   0.002021
     6  H    0.045484   0.178831   0.000730   0.000764   0.002021   0.754849
     7  H    0.046033   0.178707   0.000697   0.001992   0.000687  -0.049189
     8  H    0.045861   0.178711   0.002002   0.000676   0.000744  -0.049167
     9  H    0.045693   0.000725   0.178767   0.000743   0.002012   0.006405
    10  H    0.045733   0.002005   0.178753   0.000705   0.000735   0.000438
    11  H    0.045939   0.000712   0.178737   0.002000   0.000681  -0.007555
    12  H    0.046123   0.000684   0.000713   0.178663   0.001997   0.006374
    13  H    0.045680   0.000763   0.002008   0.178775   0.000681  -0.007565
    14  H    0.045580   0.002011   0.000750   0.178767   0.000717   0.000433
    15  H    0.045378   0.000755   0.000750   0.002023   0.178848   0.000438
    16  H    0.046026   0.002000   0.000682   0.000703   0.178744   0.000163
    17  H    0.045791   0.000693   0.002010   0.000742   0.178779   0.000439
               7          8          9         10         11         12
     1  C    0.046033   0.045861   0.045693   0.045733   0.045939   0.046123
     2  C    0.178707   0.178711   0.000725   0.002005   0.000712   0.000684
     3  C    0.000697   0.002002   0.178767   0.178753   0.178737   0.000713
     4  C    0.001992   0.000676   0.000743   0.000705   0.002000   0.178663
     5  C    0.000687   0.000744   0.002012   0.000735   0.000681   0.001997
     6  H   -0.049189  -0.049167   0.006405   0.000438  -0.007555   0.006374
     7  H    0.754597  -0.049164  -0.007593   0.000428   0.006352   0.000429
     8  H   -0.049164   0.754596   0.000431   0.000165   0.000430  -0.007583
     9  H   -0.007593   0.000431   0.754754  -0.049169  -0.049170   0.006355
    10  H    0.000428   0.000165  -0.049169   0.754678  -0.049175  -0.007601
    11  H    0.006352   0.000430  -0.049170  -0.049175   0.754630   0.000425
    12  H    0.000429  -0.007583   0.006355  -0.007601   0.000425   0.754551
    13  H    0.000428   0.006382   0.000435   0.000435   0.000164  -0.049183
    14  H    0.000165   0.000438  -0.007545   0.006392   0.000435  -0.049159
    15  H    0.006382  -0.007570   0.000440  -0.007536   0.006389   0.000164
    16  H    0.000431   0.000426   0.000431   0.006360  -0.007611   0.000429
    17  H   -0.007576   0.006361   0.000164   0.000432   0.000431   0.000426
              13         14         15         16         17
     1  C    0.045680   0.045580   0.045378   0.046026   0.045791
     2  C    0.000763   0.002011   0.000755   0.002000   0.000693
     3  C    0.002008   0.000750   0.000750   0.000682   0.002010
     4  C    0.178775   0.178767   0.002023   0.000703   0.000742
     5  C    0.000681   0.000717   0.178848   0.178744   0.178779
     6  H   -0.007565   0.000433   0.000438   0.000163   0.000439
     7  H    0.000428   0.000165   0.006382   0.000431  -0.007576
     8  H    0.006382   0.000438  -0.007570   0.000426   0.006361
     9  H    0.000435  -0.007545   0.000440   0.000431   0.000164
    10  H    0.000435   0.006392  -0.007536   0.006360   0.000432
    11  H    0.000164   0.000435   0.006389  -0.007611   0.000431
    12  H   -0.049183  -0.049159   0.000164   0.000429   0.000426
    13  H    0.754797  -0.049192   0.000442  -0.007571   0.006383
    14  H   -0.049192   0.754739   0.000437   0.006372  -0.007580
    15  H    0.000442   0.000437   0.754875  -0.049180  -0.049172
    16  H   -0.007571   0.006372  -0.049180   0.754655  -0.049168
    17  H    0.006383  -0.007580  -0.049172  -0.049168   0.754672
 Mulliken charges:
               1
     1  C   -6.106121
     2  C    1.178026
     3  C    1.178037
     4  C    1.178084
     5  C    1.177893
     6  H    0.116106
     7  H    0.116193
     8  H    0.116258
     9  H    0.116122
    10  H    0.116223
    11  H    0.116186
    12  H    0.116194
    13  H    0.116139
    14  H    0.116239
    15  H    0.116136
    16  H    0.116111
    17  H    0.116175
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -6.106121
     2  C    1.526584
     3  C    1.526568
     4  C    1.526655
     5  C    1.526314
 Electronic spatial extent (au):  <R**2>=            483.9573
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.4466   YY=            -35.4465   ZZ=            -35.4465
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3795  YYY=             -1.0600  ZZZ=             -0.8569  XYY=              1.7066
  XXY=              0.0183  XXZ=              1.3664  XZZ=             -1.3270  YZZ=              1.0414
  YYZ=             -0.5093  XYZ=              1.8291
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -230.3698 YYYY=           -229.5536 ZZZZ=           -229.7990 XXXY=              0.8864
 XXXZ=             -0.8084 YYYX=             -0.9521 YYYZ=              1.1004 ZZZX=              0.4323
 ZZZY=             -1.3541 XXYY=            -75.7178 XXZZ=            -75.4655 YYZZ=            -76.2658
 XXYZ=              0.2532 YYXZ=              0.3764 ZZXY=              0.0657
 N-N= 1.985839790889D+02 E-N=-8.521722215009D+02  KE= 1.949647996031D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:54:51 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290708D-06-2.40208708D-06-2.94381938D-06
 Polarizability= 6.33545600D+01 1.19950015D-04 6.33541331D+01
                 3.32805358D-04-2.65587195D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0029   -0.0025        0.0009    0.0012
 2      0.0029    0.0025       -0.0011   -0.0023       -0.0038   -0.0019
 3     -0.0009   -0.0012       -0.0039   -0.0067        0.0009    0.0023
 4      0.0011    0.0023       -0.0000    0.0000       -0.0006   -0.0012
 5      0.0077    0.0086        0.0006    0.0012       -0.0027   -0.0025
 6     -0.0009   -0.0023        0.0027    0.0025       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0076    0.0076        0.0035    0.0035
 2      0.0070    0.0070        0.0000    0.0000        0.0035    0.0035
 3      0.0070    0.0070        0.0076    0.0076       -0.0000    0.0000
 4      0.0076    0.0076       -0.0070   -0.0070       -0.0056   -0.0056
 5     -0.0035   -0.0035       -0.0202   -0.0202        0.0070    0.0070
 6      0.0257    0.0257        0.0035    0.0035       -0.0076   -0.0076
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0578    0.0000       -0.1186    0.0101       -0.1023   -0.0047
 2     -0.0898   -0.0101       -0.1106    0.0094       -0.0501    0.0074
 3      0.0388    0.0047       -0.0260    0.0269       -0.1717   -0.0094
 4      0.0851   -0.0094        0.0106    0.0000       -0.1470    0.0047
 5     -0.0568   -0.0343        0.3132   -0.0047        0.1143    0.0101
 6      0.1013    0.0094       -0.2379   -0.0101       -0.1889    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0785    0.0000        0.0976   -0.0088        0.0117    0.0036
 2      0.0366    0.0088        0.1109    0.0071        0.1362    0.0079
 3      0.0237   -0.0036       -0.0364   -0.0063       -0.1856   -0.0071
 4      0.0980   -0.0071       -0.0420    0.0000       -0.1017   -0.0036
 5     -0.0715   -0.0016        0.0669    0.0036       -0.0320   -0.0088
 6     -0.0114    0.0071       -0.0593    0.0088        0.1056    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2875    3.3186        1.0706    1.1283        2.1482    2.0401
 2      3.2837    3.3075        1.1730    1.1301        2.1122    2.0401
 3      3.3579    3.3075        1.0693    1.1283        2.0974    2.0329
 4      0.1134   -0.0018        0.1271    0.0111        0.1080    0.0249
 5     -0.0089   -0.0072        0.1002    0.0060       -0.0653   -0.0111
 6     -0.0840   -0.0309       -0.0567    0.0072       -0.0297    0.0018
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9476   -5.0406   -2.2781   -0.0008   -0.0007    0.0004
 Low frequencies ---  161.4409  205.9336  232.0639
 Diagonal vibrational polarizability:
        0.7232494       0.7231512       0.7231684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.4398               205.9334               232.0638
 Red. masses --      1.6958                 1.8308                 1.4541
 Frc consts  --      0.0260                 0.0457                 0.0461
 IR Inten    --      0.0000                 0.0001                 0.0002
 RamAct Fr= 1--      0.0008                 0.0034                 0.0161
  Dep-P Fr= 1--      0.7458                 0.7270                 0.7480
  Dep-U Fr= 1--      0.8544                 0.8419                 0.8559
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0005                 0.0023
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0002                -0.0004                 0.0036
 Delta2 Fr= 1--     -0.0005                 0.0019                -0.0072
 Raman1 Fr= 1--       0.003                  0.014                  0.065
 ROA1   Fr= 1--      -0.001                  0.019                  0.112
 CID1   Fr= 1--      -0.297                  1.379                  1.734
 Raman2 Fr= 1--       0.001                  0.006                  0.028
 ROA2   Fr= 1--       0.008                 -0.026                  0.143
 CID2   Fr= 1--       5.823                 -4.503                  5.176
 Raman3 Fr= 1--       0.003                  0.012                  0.055
 ROA3   Fr= 1--      -0.001                  0.019                  0.112
 CID3   Fr= 1--      -0.348                  1.638                  2.026
 RC180  Fr= 1--       0.709                  0.684                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.01
     2   6    -0.01   0.01  -0.01    -0.01   0.03   0.01    -0.01   0.00  -0.02
     3   6     0.00  -0.00   0.01     0.00  -0.00  -0.02    -0.04   0.02   0.02
     4   6     0.00  -0.00   0.01    -0.03  -0.03   0.03     0.02   0.00   0.01
     5   6     0.02  -0.00  -0.00     0.01  -0.02  -0.02     0.02  -0.02  -0.03
     6   1    -0.00   0.22   0.10    -0.03  -0.06  -0.03    -0.06  -0.45  -0.24
     7   1    -0.15  -0.01  -0.21     0.08   0.06   0.09     0.31   0.06   0.39
     8   1     0.11  -0.17   0.06    -0.09   0.13  -0.01    -0.26   0.40  -0.19
     9   1     0.29  -0.15  -0.19     0.27  -0.13  -0.21     0.02  -0.01  -0.02
    10   1    -0.19   0.30  -0.12    -0.18   0.26  -0.16    -0.07   0.12   0.01
    11   1    -0.09  -0.15   0.35    -0.07  -0.13   0.28    -0.10  -0.04   0.09
    12   1    -0.17  -0.10   0.04     0.02   0.03   0.03     0.08   0.06   0.01
    13   1     0.05   0.08  -0.16    -0.07  -0.05   0.11     0.01  -0.04   0.07
    14   1     0.13   0.01   0.18    -0.08  -0.07  -0.04    -0.03   0.00  -0.04
    15   1     0.27   0.15  -0.04    -0.34  -0.22   0.00     0.20   0.09  -0.09
    16   1    -0.01  -0.27  -0.13     0.08   0.35   0.19     0.02  -0.24  -0.12
    17   1    -0.20   0.11   0.15     0.34  -0.18  -0.26    -0.13   0.05   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.2742               298.8776               307.0615
 Red. masses --      1.0679                 2.5985                 2.3558
 Frc consts  --      0.0439                 0.1368                 0.1309
 IR Inten    --      0.0001                 0.0020                 0.0005
 RamAct Fr= 1--      0.0060                 0.8730                 0.9735
  Dep-P Fr= 1--      0.7199                 0.7500                 0.7498
  Dep-U Fr= 1--      0.8371                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0008                 0.1247                 0.1390
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0002                -0.0003                 0.0000
 Delta2 Fr= 1--      0.0025                 0.0022                 0.0015
 Raman1 Fr= 1--       0.024                  3.492                  3.894
 ROA1   Fr= 1--       0.062                  0.037                  0.049
 CID1   Fr= 1--       2.571                  0.011                  0.012
 Raman2 Fr= 1--       0.010                  1.496                  1.669
 ROA2   Fr= 1--      -0.025                 -0.025                 -0.012
 CID2   Fr= 1--      -2.434                 -0.017                 -0.007
 Raman3 Fr= 1--       0.020                  2.993                  3.337
 ROA3   Fr= 1--       0.062                  0.037                  0.049
 CID3   Fr= 1--       3.071                  0.012                  0.015
 RC180  Fr= 1--       0.674                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01   0.02  -0.02    -0.01   0.01   0.01
     2   6    -0.01   0.00  -0.02    -0.01   0.15  -0.01    -0.11  -0.03  -0.13
     3   6     0.00  -0.01   0.02     0.03  -0.09   0.11     0.10  -0.04  -0.07
     4   6     0.01   0.00  -0.00     0.09   0.09  -0.08     0.11   0.03   0.14
     5   6     0.01   0.01   0.00    -0.11  -0.12  -0.05    -0.10   0.04   0.07
     6   1    -0.03   0.09   0.03    -0.07   0.20   0.04    -0.29  -0.22  -0.16
     7   1    -0.09  -0.01  -0.12     0.10   0.25  -0.10    -0.08  -0.04  -0.06
     8   1     0.05  -0.08  -0.01    -0.09   0.19   0.05    -0.10   0.11  -0.35
     9   1     0.02  -0.05  -0.01    -0.11  -0.29   0.08     0.18  -0.08  -0.12
    10   1    -0.01   0.03   0.02     0.12  -0.08   0.24     0.04  -0.17  -0.19
    11   1    -0.00  -0.03   0.07     0.10  -0.09   0.24     0.26   0.03  -0.03
    12   1     0.49   0.29  -0.06     0.12   0.05  -0.11     0.06   0.16   0.24
    13   1    -0.12  -0.22   0.49     0.17   0.07  -0.17     0.23  -0.09   0.14
    14   1    -0.33  -0.05  -0.43     0.10   0.23  -0.03     0.17   0.05   0.22
    15   1     0.08   0.05  -0.00    -0.29  -0.20  -0.12    -0.11   0.00   0.20
    16   1     0.01  -0.06  -0.03    -0.21  -0.05  -0.14    -0.19   0.15  -0.00
    17   1    -0.05   0.05   0.03    -0.02  -0.33   0.08    -0.14   0.06   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    370.4624               386.2154               388.0059
 Red. masses --      2.5803                 2.3537                 2.3141
 Frc consts  --      0.2086                 0.2069                 0.2053
 IR Inten    --      0.0345                 0.0441                 0.0599
 RamAct Fr= 1--      0.1934                 0.2527                 0.2520
  Dep-P Fr= 1--      0.7402                 0.7307                 0.7297
  Dep-U Fr= 1--      0.8507                 0.8444                 0.8437
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0274                 0.0356                 0.0354
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0072                -0.0105                 0.0123
 Delta2 Fr= 1--     -0.0064                 0.0049                -0.0055
 Raman1 Fr= 1--       0.774                  1.011                  1.008
 ROA1   Fr= 1--      -0.893                 -0.852                  1.005
 CID1   Fr= 1--      -1.155                 -0.843                  0.997
 Raman2 Fr= 1--       0.329                  0.427                  0.425
 ROA2   Fr= 1--      -0.121                 -0.292                  0.340
 CID2   Fr= 1--      -0.367                 -0.684                  0.799
 Raman3 Fr= 1--       0.658                  0.854                  0.850
 ROA3   Fr= 1--      -0.893                 -0.852                  1.005
 CID3   Fr= 1--      -1.357                 -0.998                  1.182
 RC180  Fr= 1--       0.701                  0.689                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.10   0.07    -0.00   0.10  -0.11    -0.11  -0.07  -0.05
     2   6    -0.07  -0.09   0.07     0.13  -0.06  -0.02    -0.01   0.04   0.12
     3   6     0.07  -0.01  -0.01     0.01  -0.02   0.04    -0.10  -0.12  -0.07
     4   6    -0.05   0.17  -0.02    -0.07  -0.00   0.14     0.13   0.03   0.03
     5   6     0.06  -0.06  -0.08    -0.06   0.06  -0.14     0.02   0.07  -0.05
     6   1     0.02  -0.15   0.00     0.37  -0.04  -0.10     0.15   0.19   0.14
     7   1    -0.23  -0.22   0.22     0.00  -0.18   0.14     0.09   0.11   0.09
     8   1     0.03  -0.15   0.01     0.20  -0.18   0.07    -0.12  -0.02   0.37
     9   1     0.13  -0.11  -0.08    -0.15  -0.24  -0.00    -0.12  -0.17  -0.09
    10   1     0.02  -0.21  -0.14     0.12   0.01   0.19    -0.10  -0.17  -0.09
    11   1     0.33   0.10   0.07     0.07  -0.03   0.18    -0.05  -0.10  -0.05
    12   1     0.02   0.12  -0.08    -0.22   0.17   0.31     0.18   0.19   0.10
    13   1    -0.02   0.18  -0.07    -0.09  -0.06   0.25     0.37  -0.17  -0.01
    14   1    -0.10   0.31  -0.03     0.03  -0.26   0.19     0.16   0.22   0.12
    15   1     0.05   0.02  -0.39    -0.11   0.04  -0.13     0.16   0.13   0.02
    16   1     0.21  -0.27   0.03    -0.12   0.10  -0.19     0.14   0.04   0.08
    17   1     0.16  -0.16  -0.08    -0.06   0.02  -0.10    -0.04   0.28  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    684.1715               749.8761               763.0077
 Red. masses --      3.3550                 2.4845                 2.5256
 Frc consts  --      0.9253                 0.8231                 0.8663
 IR Inten    --      0.0188                 0.1611                 0.2552
 RamAct Fr= 1--     14.1771                 0.9973                 1.4751
  Dep-P Fr= 1--      0.0021                 0.7468                 0.7025
  Dep-U Fr= 1--      0.0042                 0.8551                 0.8253
 Alpha2 Fr= 1--      0.3135                 0.0001                 0.0012
 Beta2  Fr= 1--      0.0099                 0.1421                 0.2029
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0066                -0.0009                 0.2443
 Delta2 Fr= 1--      0.0068                -0.0027                 0.2813
 Raman1 Fr= 1--      56.709                  3.989                  5.900
 ROA1   Fr= 1--       0.847                 -0.176                 32.456
 CID1   Fr= 1--       0.015                 -0.044                  5.501
 Raman2 Fr= 1--       0.118                  1.705                  2.435
 ROA2   Fr= 1--       0.103                 -0.001                  3.614
 CID2   Fr= 1--       0.873                 -0.001                  1.484
 Raman3 Fr= 1--       0.237                  3.411                  4.869
 ROA3   Fr= 1--       0.847                 -0.176                 32.456
 CID3   Fr= 1--       3.576                 -0.051                  6.665
 RC180  Fr= 1--      -0.992                  0.710                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.00    -0.04  -0.02  -0.01    -0.03  -0.03   0.04
     2   6     0.17   0.01  -0.13     0.05  -0.04  -0.03     0.06  -0.07  -0.05
     3   6    -0.13  -0.10  -0.09     0.01   0.14  -0.02    -0.08   0.01   0.17
     4   6    -0.10   0.17   0.05     0.00  -0.02  -0.01    -0.00   0.00   0.01
     5   6     0.06  -0.04   0.17    -0.12  -0.09   0.05    -0.02   0.03  -0.08
     6   1     0.17   0.02  -0.13    -0.10  -0.03   0.03     0.10   0.10   0.02
     7   1     0.24   0.06  -0.20     0.20   0.10  -0.21     0.38   0.16  -0.25
     8   1     0.17   0.03  -0.16    -0.01   0.06  -0.09    -0.10  -0.02   0.14
     9   1    -0.19  -0.22  -0.13    -0.15  -0.18  -0.11     0.32   0.24   0.12
    10   1    -0.17  -0.19  -0.16     0.17   0.07   0.15    -0.34  -0.34  -0.28
    11   1    -0.16  -0.12  -0.10     0.29   0.21   0.24     0.25   0.22   0.07
    12   1    -0.15   0.21   0.10    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    13   1    -0.14   0.19   0.09    -0.04   0.02   0.00    -0.07   0.05   0.03
    14   1    -0.08   0.10   0.06     0.01  -0.07  -0.02    -0.02  -0.06  -0.03
    15   1     0.03  -0.04   0.09     0.11   0.03   0.05    -0.05   0.03  -0.11
    16   1     0.12  -0.14   0.23     0.24  -0.20   0.44    -0.07   0.04  -0.14
    17   1     0.12  -0.19   0.30    -0.13   0.24  -0.36    -0.02   0.03  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    796.5134               854.3383               871.1233
 Red. masses --      2.6671                 2.1357                 2.3325
 Frc consts  --      0.9970                 0.9184                 1.0429
 IR Inten    --      0.2442                 0.3043                 0.0422
 RamAct Fr= 1--      2.5207                 2.2002                 2.5839
  Dep-P Fr= 1--      0.6983                 0.4672                 0.5372
  Dep-U Fr= 1--      0.8224                 0.6368                 0.6990
 Alpha2 Fr= 1--      0.0023                 0.0126                 0.0106
 Beta2  Fr= 1--      0.3455                 0.2335                 0.3010
 AlphaG Fr= 1--      0.0001                 0.0002                -0.0001
 Gamma2 Fr= 1--     -0.3143                -0.1721                -0.0189
 Delta2 Fr= 1--     -0.3961                -0.2402                 0.0262
 Raman1 Fr= 1--      10.083                  8.801                 10.336
 ROA1   Fr= 1--     -42.848                -24.213                 -0.978
 CID1   Fr= 1--      -4.250                 -2.751                 -0.095
 Raman2 Fr= 1--       4.146                  2.802                  3.612
 ROA2   Fr= 1--      -4.374                 -2.210                 -0.663
 CID2   Fr= 1--      -1.055                 -0.789                 -0.184
 Raman3 Fr= 1--       8.292                  5.605                  7.224
 ROA3   Fr= 1--     -42.848                -24.213                 -0.978
 CID3   Fr= 1--      -5.168                 -4.320                 -0.135
 RC180  Fr= 1--       0.645                  0.274                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01     0.07  -0.06   0.05     0.00   0.02   0.05
     2   6     0.03  -0.05  -0.00    -0.01  -0.04   0.04     0.11   0.18  -0.09
     3   6     0.15  -0.11   0.03    -0.02   0.02  -0.04    -0.03  -0.04   0.07
     4   6    -0.09   0.13   0.04    -0.04   0.12   0.08     0.01  -0.05   0.02
     5   6    -0.10  -0.01  -0.05     0.10  -0.13  -0.06    -0.06  -0.09  -0.01
     6   1    -0.11  -0.04   0.05    -0.11  -0.04   0.08     0.21  -0.03  -0.24
     7   1     0.14   0.07  -0.18     0.05   0.03  -0.06    -0.35  -0.20   0.27
     8   1     0.00   0.03  -0.07    -0.02   0.01  -0.02     0.36   0.03  -0.26
     9   1     0.24   0.32   0.22    -0.10  -0.13  -0.08     0.10   0.09   0.08
    10   1     0.13   0.22   0.12     0.03  -0.02   0.01    -0.17  -0.15  -0.13
    11   1    -0.33  -0.29  -0.23     0.00   0.01   0.03    -0.05  -0.03  -0.03
    12   1    -0.06   0.25   0.09     0.05  -0.18  -0.13     0.16  -0.20  -0.13
    13   1     0.05   0.01   0.02    -0.22   0.36  -0.02     0.04   0.02  -0.10
    14   1    -0.06   0.25   0.11    -0.18   0.21  -0.06    -0.08   0.18  -0.03
    15   1    -0.02   0.05  -0.12     0.17  -0.20   0.39     0.06  -0.05   0.10
    16   1     0.07  -0.10   0.11    -0.20   0.33  -0.26     0.04  -0.00   0.13
    17   1    -0.06   0.12  -0.28    -0.19   0.25  -0.15    -0.15   0.20  -0.26
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.1500               982.4401              1032.3272
 Red. masses --      1.8949                 1.6462                 1.5172
 Frc consts  --      0.9087                 0.9362                 0.9526
 IR Inten    --      0.7231                 0.0649                 0.1280
 RamAct Fr= 1--      4.2090                 2.6405                 0.7529
  Dep-P Fr= 1--      0.6154                 0.7490                 0.6613
  Dep-U Fr= 1--      0.7619                 0.8565                 0.7962
 Alpha2 Fr= 1--      0.0104                 0.0000                 0.0012
 Beta2  Fr= 1--      0.5345                 0.3769                 0.0999
 AlphaG Fr= 1--     -0.0002                 0.0000                 0.0001
 Gamma2 Fr= 1--      0.3404                -0.0904                 0.0153
 Delta2 Fr= 1--      0.4655                -0.1000                 0.0224
 Raman1 Fr= 1--      16.836                 10.562                  3.012
 ROA1   Fr= 1--      47.577                -11.881                  2.189
 CID1   Fr= 1--       2.826                 -1.125                  0.727
 Raman2 Fr= 1--       6.414                  4.523                  1.199
 ROA2   Fr= 1--       4.446                 -1.370                  0.188
 CID2   Fr= 1--       0.693                 -0.303                  0.157
 Raman3 Fr= 1--      12.827                  9.046                  2.398
 ROA3   Fr= 1--      47.577                -11.881                  2.189
 CID3   Fr= 1--       3.709                 -1.313                  0.913
 RC180  Fr= 1--       0.524                  0.713                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.05  -0.11    -0.08  -0.04   0.08    -0.00  -0.01  -0.03
     2   6    -0.05   0.02  -0.10     0.07  -0.01  -0.02     0.08   0.02   0.10
     3   6     0.04   0.03   0.03     0.00   0.03  -0.05    -0.03   0.01   0.02
     4   6    -0.07   0.02  -0.02    -0.08  -0.09   0.07    -0.07   0.01  -0.10
     5   6     0.08  -0.10   0.06     0.02   0.07  -0.02     0.05  -0.05   0.00
     6   1     0.44   0.20  -0.20     0.01  -0.06  -0.03    -0.32  -0.23   0.12
     7   1     0.04  -0.02   0.17     0.09   0.02  -0.12    -0.14  -0.03  -0.12
     8   1    -0.16  -0.18   0.34     0.12   0.03  -0.14     0.16   0.21  -0.31
     9   1     0.13   0.15   0.06    -0.09  -0.02  -0.03    -0.01   0.05   0.03
    10   1     0.07   0.11   0.10     0.08   0.09   0.07    -0.07  -0.04  -0.04
    11   1     0.15   0.09   0.06     0.07   0.03   0.08     0.09   0.06   0.08
    12   1    -0.02   0.24   0.08     0.32  -0.16  -0.16    -0.16   0.47   0.21
    13   1     0.18  -0.21  -0.04     0.29  -0.23  -0.24     0.23  -0.38   0.03
    14   1    -0.02   0.19   0.09    -0.21   0.62   0.11     0.14  -0.02   0.15
    15   1     0.10  -0.15   0.32    -0.06   0.05  -0.11     0.06  -0.06   0.09
    16   1     0.00   0.10   0.05    -0.06   0.02  -0.13    -0.04   0.09  -0.07
    17   1    -0.06   0.01   0.13     0.09  -0.08   0.09    -0.03   0.04   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1075.9332              1078.4908              1083.7628
 Red. masses --      2.2166                 2.1767                 2.3224
 Frc consts  --      1.5119                 1.4917                 1.6071
 IR Inten    --      2.5031                 3.7191                 5.0297
 RamAct Fr= 1--      1.5718                 1.5510                 1.2123
  Dep-P Fr= 1--      0.7273                 0.7473                 0.6507
  Dep-U Fr= 1--      0.8421                 0.8554                 0.7884
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0022
 Beta2  Fr= 1--      0.2206                 0.2211                 0.1593
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0948                 0.0271                 0.1986
 Delta2 Fr= 1--     -0.0752                -0.0581                 0.1599
 Raman1 Fr= 1--       6.287                  6.204                  4.849
 ROA1   Fr= 1--     -11.504                  0.740                 24.179
 CID1   Fr= 1--      -1.830                  0.119                  4.986
 Raman2 Fr= 1--       2.647                  2.653                  1.911
 ROA2   Fr= 1--      -1.672                  1.115                  3.487
 CID2   Fr= 1--      -0.632                  0.420                  1.824
 Raman3 Fr= 1--       5.295                  5.307                  3.823
 ROA3   Fr= 1--     -11.504                  0.740                 24.179
 CID3   Fr= 1--      -2.173                  0.139                  6.325
 RC180  Fr= 1--       0.684                  0.711                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00  -0.00   0.01    -0.02   0.03  -0.01
     2   6     0.02   0.00   0.02    -0.01  -0.00  -0.01     0.01  -0.01   0.03
     3   6    -0.09   0.05  -0.03     0.06   0.02  -0.12     0.02  -0.10  -0.01
     4   6     0.00  -0.00   0.01     0.01   0.01  -0.00     0.03  -0.01   0.02
     5   6    -0.00   0.00  -0.09     0.00   0.00   0.01    -0.00  -0.02  -0.14
     6   1    -0.05  -0.04   0.02     0.04   0.02  -0.02    -0.07  -0.06   0.03
     7   1    -0.02  -0.00  -0.03     0.01   0.00   0.01     0.01   0.01  -0.06
     8   1     0.02   0.05  -0.05    -0.03  -0.02   0.04     0.02   0.03  -0.05
     9   1     0.44   0.11  -0.24    -0.31   0.42   0.26    -0.20   0.11   0.19
    10   1     0.33  -0.41   0.33     0.06  -0.28  -0.22    -0.18   0.34  -0.10
    11   1    -0.23  -0.07   0.12    -0.08  -0.28   0.65     0.27   0.03  -0.02
    12   1     0.02  -0.05  -0.02    -0.02   0.00   0.01     0.04  -0.13  -0.06
    13   1    -0.01   0.03  -0.02    -0.03   0.04   0.01    -0.06   0.10  -0.01
    14   1    -0.02   0.01  -0.02     0.01  -0.05  -0.02    -0.03  -0.02  -0.05
    15   1     0.01  -0.00  -0.03     0.02   0.01   0.01     0.02  -0.03  -0.03
    16   1     0.19   0.18   0.20    -0.02  -0.01  -0.02     0.31   0.30   0.33
    17   1    -0.19  -0.08   0.27     0.02  -0.00  -0.02    -0.34  -0.09   0.41
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1096.4590              1190.3115              1232.0197
 Red. masses --      2.6612                 3.2893                 2.5992
 Frc consts  --      1.8850                 2.7459                 2.3245
 IR Inten    --      0.7895                 1.7066                 7.1295
 RamAct Fr= 1--      1.6746                 6.7329                 6.9070
  Dep-P Fr= 1--      0.0838                 0.7276                 0.7456
  Dep-U Fr= 1--      0.1546                 0.8423                 0.8543
 Alpha2 Fr= 1--      0.0305                 0.0026                 0.0005
 Beta2  Fr= 1--      0.0431                 0.9452                 0.9834
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0908                 0.1166                -0.3433
 Delta2 Fr= 1--     -0.0975                 0.0698                -0.1494
 Raman1 Fr= 1--       6.698                 26.931                 27.628
 ROA1   Fr= 1--     -11.841                 13.425                -37.738
 CID1   Fr= 1--      -1.768                  0.498                 -1.366
 Raman2 Fr= 1--       0.518                 11.342                 11.801
 ROA2   Fr= 1--      -1.400                  2.239                 -7.044
 CID2   Fr= 1--      -2.703                  0.197                 -0.597
 Raman3 Fr= 1--       1.035                 22.685                 23.601
 ROA3   Fr= 1--     -11.841                 13.425                -37.738
 CID3   Fr= 1--     -11.435                  0.592                 -1.599
 RC180  Fr= 1--      -0.691                  0.685                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.03    -0.17   0.22   0.21     0.20  -0.10   0.19
     2   6     0.03   0.04   0.02    -0.02  -0.03  -0.03    -0.05   0.01  -0.11
     3   6    -0.17  -0.16  -0.11    -0.02  -0.08  -0.07    -0.07  -0.01  -0.06
     4   6     0.04   0.05   0.03     0.07  -0.06  -0.09    -0.07   0.02  -0.07
     5   6    -0.00   0.05   0.05     0.09  -0.12   0.06    -0.04   0.03  -0.06
     6   1    -0.04  -0.06  -0.01     0.27   0.06  -0.11    -0.16   0.39   0.17
     7   1    -0.10  -0.03   0.01     0.23   0.13  -0.08     0.16  -0.02   0.36
     8   1     0.08   0.07  -0.11     0.19  -0.15  -0.16     0.17  -0.33   0.08
     9   1     0.20   0.39   0.00     0.06   0.08  -0.03    -0.07  -0.02  -0.06
    10   1     0.09   0.26   0.36     0.11   0.10   0.16    -0.00   0.03   0.05
    11   1     0.45   0.10   0.13    -0.04  -0.10  -0.06     0.12   0.05   0.05
    12   1    -0.06  -0.10  -0.01    -0.09   0.03   0.05    -0.09   0.35   0.14
    13   1    -0.20   0.25   0.07     0.04  -0.16   0.08     0.09  -0.21   0.07
    14   1    -0.02  -0.09  -0.08     0.17  -0.31  -0.02     0.11   0.06   0.17
    15   1    -0.00   0.03   0.07    -0.04  -0.04  -0.40    -0.07   0.06  -0.24
    16   1    -0.11  -0.16  -0.14    -0.17   0.23  -0.12     0.06   0.05   0.05
    17   1     0.19  -0.03  -0.12    -0.13   0.23  -0.09    -0.09   0.02  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1251.1978              1311.3379              1322.8001
 Red. masses --      3.9400                 1.2760                 1.3327
 Frc consts  --      3.6341                 1.2927                 1.3739
 IR Inten    --      5.2446                 5.5516                 6.5842
 RamAct Fr= 1--      8.7378                 1.8686                 2.7412
  Dep-P Fr= 1--      0.7439                 0.5943                 0.7270
  Dep-U Fr= 1--      0.8532                 0.7455                 0.8419
 Alpha2 Fr= 1--      0.0009                 0.0054                 0.0011
 Beta2  Fr= 1--      1.2425                 0.2322                 0.3846
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0895                 0.0557                 0.8917
 Delta2 Fr= 1--     -0.0402                -0.1548                 0.6716
 Raman1 Fr= 1--      34.951                  7.474                 10.965
 ROA1   Fr= 1--      -9.877                  0.394                107.097
 CID1   Fr= 1--      -0.283                  0.053                  9.768
 Raman2 Fr= 1--      14.910                  2.786                  4.616
 ROA2   Fr= 1--      -1.826                  2.575                 16.029
 CID2   Fr= 1--      -0.122                  0.924                  3.473
 Raman3 Fr= 1--      29.819                  5.572                  9.231
 ROA3   Fr= 1--      -9.877                  0.394                107.097
 CID3   Fr= 1--      -0.331                  0.071                 11.602
 RC180  Fr= 1--       0.706                  0.491                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.32  -0.16    -0.04   0.01   0.01     0.06  -0.05   0.02
     2   6    -0.11  -0.09   0.06    -0.07   0.01   0.03    -0.07   0.03   0.05
     3   6    -0.09  -0.09  -0.01     0.01   0.00   0.01    -0.01   0.01   0.00
     4   6    -0.09  -0.10   0.06     0.01   0.02  -0.01    -0.01   0.02  -0.01
     5   6    -0.04  -0.07   0.05    -0.01   0.04  -0.07    -0.06  -0.02   0.01
     6   1    -0.08   0.09   0.15     0.08  -0.00  -0.03     0.43  -0.28  -0.32
     7   1     0.16   0.09  -0.00     0.18   0.15   0.06    -0.03   0.11  -0.15
     8   1    -0.03  -0.11  -0.00     0.48  -0.29  -0.34     0.11  -0.08  -0.07
     9   1     0.09   0.16   0.02     0.01  -0.01   0.01    -0.02  -0.02  -0.01
    10   1    -0.09  -0.07   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.01
    11   1     0.06  -0.03   0.03    -0.03  -0.01  -0.01     0.02   0.02   0.00
    12   1     0.37  -0.01  -0.11    -0.01  -0.05  -0.03    -0.01   0.03   0.01
    13   1     0.27  -0.17  -0.32     0.04  -0.06   0.02     0.01  -0.02   0.02
    14   1    -0.13   0.38   0.12     0.04  -0.13  -0.01     0.02   0.00   0.02
    15   1     0.14   0.01   0.13     0.04  -0.13   0.63     0.54   0.37  -0.20
    16   1     0.01  -0.07   0.10     0.08  -0.15  -0.03    -0.08   0.20   0.05
    17   1     0.01   0.05  -0.15     0.07  -0.10  -0.00     0.09  -0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.9636              1342.5782              1412.9236
 Red. masses --      1.3561                 1.4997                 1.2398
 Frc consts  --      1.4090                 1.5927                 1.4582
 IR Inten    --      2.9019                 0.8889                 4.0099
 RamAct Fr= 1--      2.6287                 3.3330                 0.1377
  Dep-P Fr= 1--      0.7413                 0.7481                 0.4429
  Dep-U Fr= 1--      0.8514                 0.8559                 0.6139
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0009
 Beta2  Fr= 1--      0.3730                 0.4754                 0.0141
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3445                -0.3714                -0.0013
 Delta2 Fr= 1--     -0.1671                -0.2218                -0.0036
 Raman1 Fr= 1--      10.515                 13.332                  0.551
 ROA1   Fr= 1--     -38.419                -42.754                 -0.243
 CID1   Fr= 1--      -3.654                 -3.207                 -0.440
 Raman2 Fr= 1--       4.476                  5.705                  0.169
 ROA2   Fr= 1--      -6.931                 -7.139                 -0.004
 CID2   Fr= 1--      -1.548                 -1.251                 -0.021
 Raman3 Fr= 1--       8.953                 11.411                  0.338
 ROA3   Fr= 1--     -38.419                -42.754                 -0.243
 CID3   Fr= 1--      -4.291                 -3.747                 -0.717
 RC180  Fr= 1--       0.703                  0.712                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05   0.02     0.05   0.06   0.14    -0.01   0.02   0.01
     2   6     0.07  -0.02  -0.06     0.02  -0.01  -0.01    -0.01  -0.00   0.01
     3   6     0.01  -0.01   0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     4   6     0.02  -0.01  -0.01    -0.02  -0.00  -0.04     0.07  -0.12  -0.04
     5   6    -0.05  -0.02  -0.02    -0.02   0.03  -0.07    -0.00   0.00  -0.01
     6   1    -0.36   0.26   0.27     0.31  -0.15  -0.21     0.03  -0.03  -0.02
     7   1     0.02  -0.11   0.13    -0.16  -0.06  -0.20     0.02   0.02  -0.02
     8   1    -0.13   0.09   0.08    -0.45   0.27   0.30     0.03  -0.03  -0.01
     9   1     0.01   0.00   0.00    -0.02  -0.01  -0.03     0.00  -0.01   0.00
    10   1     0.01   0.02   0.01     0.01   0.03   0.03     0.00  -0.00  -0.01
    11   1    -0.02  -0.02  -0.02     0.01  -0.01  -0.01    -0.02  -0.00  -0.01
    12   1    -0.04  -0.05  -0.00     0.04   0.06  -0.02    -0.19   0.40   0.35
    13   1     0.01  -0.04   0.03     0.04  -0.14   0.07    -0.44   0.35   0.05
    14   1     0.00  -0.03  -0.03     0.13  -0.05   0.13    -0.09   0.56   0.00
    15   1     0.63   0.27   0.27    -0.03  -0.14   0.50     0.02  -0.01   0.11
    16   1    -0.08   0.13  -0.01     0.08  -0.13  -0.02     0.02  -0.02  -0.00
    17   1     0.15  -0.21  -0.04     0.01  -0.04  -0.04     0.01  -0.02  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.5870              1498.7484              1498.9129
 Red. masses --      1.0817                 1.0518                 1.0549
 Frc consts  --      1.3877                 1.3920                 1.3964
 IR Inten    --      4.3901                 6.3587                 4.9512
 RamAct Fr= 1--      1.6817                 4.3660                 3.2798
  Dep-P Fr= 1--      0.7482                 0.7500                 0.7494
  Dep-U Fr= 1--      0.8560                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2399                 0.6237                 0.4683
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0010                -0.0273                 0.0455
 Delta2 Fr= 1--     -0.0086                -0.0124                 0.0113
 Raman1 Fr= 1--       6.727                 17.464                 13.119
 ROA1   Fr= 1--      -0.370                 -3.019                  4.730
 CID1   Fr= 1--      -0.055                 -0.173                  0.361
 Raman2 Fr= 1--       2.879                  7.484                  5.620
 ROA2   Fr= 1--       0.045                 -0.556                  1.001
 CID2   Fr= 1--       0.016                 -0.074                  0.178
 Raman3 Fr= 1--       5.758                 14.969                 11.240
 ROA3   Fr= 1--      -0.370                 -3.019                  4.730
 CID3   Fr= 1--      -0.064                 -0.202                  0.421
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02  -0.02   0.01    -0.02  -0.00  -0.03
     2   6    -0.03  -0.06   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.01   0.01  -0.00    -0.04  -0.03   0.02    -0.03  -0.00  -0.04
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     6   1     0.42   0.53   0.14     0.07   0.10   0.03    -0.05   0.00   0.02
     7   1    -0.03  -0.06   0.03    -0.01  -0.02   0.01     0.01   0.00   0.02
     8   1    -0.10   0.44  -0.52    -0.01   0.08  -0.10     0.04  -0.03  -0.02
     9   1    -0.01  -0.01   0.01     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1    -0.01  -0.00  -0.01     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1     0.00   0.01   0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.09  -0.07  -0.00     0.51   0.43   0.02     0.34  -0.13  -0.26
    13   1    -0.01  -0.05   0.10    -0.07   0.37  -0.46    -0.35   0.01   0.41
    14   1    -0.02   0.08  -0.00     0.13  -0.37   0.09     0.42   0.14   0.55
    15   1    -0.01   0.00  -0.03     0.03   0.02   0.01     0.00   0.01  -0.04
    16   1     0.01   0.00   0.01    -0.01   0.01  -0.01    -0.01   0.01   0.00
    17   1    -0.01  -0.00   0.01     0.01  -0.02   0.00     0.00   0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9748              2206.9397              2244.6468
 Red. masses --      2.1312                 2.1898                 2.2675
 Frc consts  --      5.9128                 6.2839                 6.7312
 IR Inten    --     15.1373                14.0665                14.6041
 RamAct Fr= 1--     67.0092                71.7839                53.6509
  Dep-P Fr= 1--      0.0012                 0.0566                 0.1680
  Dep-U Fr= 1--      0.0024                 0.1071                 0.2877
 Alpha2 Fr= 1--      1.4848                 1.3959                 0.7921
 Beta2  Fr= 1--      0.0273                 1.2812                 2.5723
 AlphaG Fr= 1--     -0.0002                -0.0001                -0.0014
 Gamma2 Fr= 1--     -0.0366                 0.0602                 0.0147
 Delta2 Fr= 1--     -0.0354                 0.0609                 0.0114
 Raman1 Fr= 1--     268.037                287.135                214.604
 ROA1   Fr= 1--      -4.643                  7.731                  1.772
 CID1   Fr= 1--      -0.017                  0.027                  0.008
 Raman2 Fr= 1--       0.328                 15.375                 30.867
 ROA2   Fr= 1--      -0.595                  0.958                  0.261
 CID2   Fr= 1--      -1.813                  0.062                  0.008
 Raman3 Fr= 1--       0.656                 30.750                 61.734
 ROA3   Fr= 1--      -4.643                  7.731                  1.772
 CID3   Fr= 1--      -7.075                  0.251                  0.029
 RC180  Fr= 1--      -0.995                 -0.786                 -0.425
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.00  -0.01  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.01    -0.01   0.04   0.13     0.00   0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.01  -0.02  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.02   0.04   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.01  -0.00    -0.05   0.09   0.03     0.00   0.00  -0.01
    16   1    -0.03  -0.01   0.03     0.52   0.15  -0.44     0.01   0.00  -0.01
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.01  -0.01  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1995              2284.5341              2285.8565
 Red. masses --      2.3739                 2.3766                 2.3788
 Frc consts  --      7.2912                 7.3082                 7.3234
 IR Inten    --      7.5752                16.9697                24.4684
 RamAct Fr= 1--     15.5691                33.9904                49.3917
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      2.2242                 4.8548                 7.0559
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      1.1467                -0.2589                -0.9642
 Delta2 Fr= 1--      1.0638                -0.2478                -0.8870
 Raman1 Fr= 1--      62.277                135.962                197.567
 ROA1   Fr= 1--     144.120                -32.787               -120.949
 CID1   Fr= 1--       2.314                 -0.241                 -0.612
 Raman2 Fr= 1--      26.690                 58.258                 84.671
 ROA2   Fr= 1--      19.010                 -4.232                -16.045
 CID2   Fr= 1--       0.712                 -0.073                 -0.190
 Raman3 Fr= 1--      53.380                116.516                169.343
 ROA3   Fr= 1--     144.120                -32.787               -120.949
 CID3   Fr= 1--       2.700                 -0.281                 -0.714
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.04  -0.04   0.12     0.13  -0.14  -0.00    -0.04  -0.05   0.12
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.11   0.07  -0.01     0.00   0.00  -0.00    -0.12  -0.07   0.01
     6   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
     7   1     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00   0.00   0.00
     8   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     9   1    -0.17   0.20  -0.38    -0.17   0.20  -0.39    -0.17   0.20  -0.38
    10   1     0.39   0.11  -0.32    -0.25  -0.08   0.20     0.39   0.11  -0.31
    11   1     0.03  -0.05  -0.01    -0.36   0.68   0.21     0.02  -0.04  -0.01
    12   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
    16   1    -0.37  -0.10   0.31    -0.01  -0.00   0.01     0.36   0.11  -0.31
    17   1    -0.32  -0.30  -0.23    -0.00   0.00   0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1822              3044.4927              3064.3944
 Red. masses --      1.0345                 1.0600                 1.0829
 Frc consts  --      5.5634                 5.7887                 5.9914
 IR Inten    --     29.3788                32.2410                31.3264
 RamAct Fr= 1--    129.9559               150.6094                95.1337
  Dep-P Fr= 1--      0.0003                 0.0665                 0.2198
  Dep-U Fr= 1--      0.0006                 0.1247                 0.3603
 Alpha2 Fr= 1--      2.8858                 2.8601                 1.2254
 Beta2  Fr= 1--      0.0134                 3.1294                 5.7131
 AlphaG Fr= 1--     -0.0004                 0.0028                 0.0003
 Gamma2 Fr= 1--     -0.0037                -0.0048                 0.4526
 Delta2 Fr= 1--     -0.0014                -0.0131                 0.4190
 Raman1 Fr= 1--     519.824                602.438                380.535
 ROA1   Fr= 1--      -0.402                 -0.884                 56.858
 CID1   Fr= 1--      -0.001                 -0.001                  0.149
 Raman2 Fr= 1--       0.160                 37.553                 68.558
 ROA2   Fr= 1--      -0.078                 -0.012                  7.511
 CID2   Fr= 1--      -0.488                 -0.000                  0.110
 Raman3 Fr= 1--       0.321                 75.106                137.115
 ROA3   Fr= 1--      -0.402                 -0.884                 56.858
 CID3   Fr= 1--      -1.252                 -0.012                  0.415
 RC180  Fr= 1--      -0.999                 -0.751                 -0.279
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.04  -0.07  -0.02
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58    -0.00   0.00  -0.00
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
     8   1     0.05   0.05   0.03    -0.46  -0.42  -0.32    -0.01  -0.01  -0.01
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04    -0.01   0.01  -0.01
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.02  -0.02  -0.02
    14   1     0.43   0.12  -0.35     0.06   0.02  -0.05     0.03   0.01  -0.02
    15   1     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.47   0.84   0.24
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7876              3083.7014              3086.2952
 Red. masses --      1.1024                 1.1016                 1.1014
 Frc consts  --      6.1647                 6.1721                 6.1813
 IR Inten    --      0.0101                35.5371                67.0598
 RamAct Fr= 1--     10.4916                61.4845               111.0503
  Dep-P Fr= 1--      0.7484                 0.7463                 0.7492
  Dep-U Fr= 1--      0.8561                 0.8547                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0039                 0.0014
 Beta2  Fr= 1--      1.4970                 8.7585                15.8552
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0001
 Gamma2 Fr= 1--      0.3278                 0.3742                -1.1205
 Delta2 Fr= 1--      0.3186                 0.3405                -1.0309
 Raman1 Fr= 1--      41.966                245.938                444.201
 ROA1   Fr= 1--      41.660                 46.822               -140.555
 CID1   Fr= 1--       0.993                  0.190                 -0.316
 Raman2 Fr= 1--      17.964                105.101                190.262
 ROA2   Fr= 1--       5.318                  6.257                -18.644
 CID2   Fr= 1--       0.296                  0.060                 -0.098
 Raman3 Fr= 1--      35.928                210.203                380.525
 ROA3   Fr= 1--      41.660                 46.822               -140.555
 CID3   Fr= 1--       1.160                  0.223                 -0.369
 RC180  Fr= 1--       0.712                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05    -0.00  -0.00  -0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.05    -0.04  -0.01  -0.05
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   1     0.17  -0.23   0.41    -0.00   0.01  -0.01     0.17  -0.23   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21     0.02   0.01   0.01     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.18   0.23  -0.40    -0.17   0.18  -0.33     0.18  -0.23   0.40
    13   1    -0.32  -0.32  -0.22     0.25   0.25   0.20     0.31   0.32   0.22
    14   1     0.01   0.00   0.02     0.62   0.15  -0.51    -0.01  -0.00  -0.01
    15   1     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.02   0.03   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   453.53836 474.26084 490.36102
           X            0.58780  -0.66874  -0.45528
           Y            0.33017  -0.31547   0.88964
           Z            0.73857   0.67325  -0.03536
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19097     0.18263     0.17663
 Rotational constants (GHZ):           3.97925     3.80538     3.68043
 Zero-point vibrational energy     366687.2 (Joules/Mol)
                                   87.64034 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.28   296.29   333.89   380.23   430.02
          (Kelvin)            441.79   533.01   555.68   558.25   984.37
                             1078.90  1097.80  1146.01  1229.20  1253.35
                             1297.99  1413.51  1485.29  1548.03  1551.71
                             1559.29  1577.56  1712.59  1772.60  1800.19
                             1886.72  1903.21  1910.64  1931.67  2032.88
                             2123.04  2156.36  2156.60  3122.11  3175.29
                             3229.55  3285.01  3286.94  3288.84  4346.81
                             4380.35  4408.98  4432.57  4436.76  4440.49
 
 Zero-point correction=                           0.139664 (Hartree/Particle)
 Thermal correction to Energy=                    0.147315
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109604
 Sum of electronic and zero-point Energies=           -197.732193
 Sum of electronic and thermal Energies=              -197.724542
 Sum of electronic and thermal Enthalpies=            -197.723597
 Sum of electronic and thermal Free Energies=         -197.762253
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.442             29.040             81.358
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.664             23.078             16.217
 Vibration     1          0.622              1.890              2.533
 Vibration     2          0.640              1.831              2.079
 Vibration     3          0.653              1.792              1.863
 Vibration     4          0.671              1.738              1.633
 Vibration     5          0.692              1.676              1.423
 Vibration     6          0.697              1.660              1.378
 Vibration     7          0.742              1.533              1.078
 Vibration     8          0.755              1.500              1.015
 Vibration     9          0.756              1.496              1.008
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385304D-50        -50.414197       -116.082978
 Total V=0       0.670850D+14         13.826625         31.836981
 Vib (Bot)       0.122093D-62        -62.913310       -144.863249
 Vib (Bot)    1  0.125171D+01          0.097503          0.224509
 Vib (Bot)    2  0.966025D+00         -0.015011         -0.034565
 Vib (Bot)    3  0.847955D+00         -0.071627         -0.164928
 Vib (Bot)    4  0.733407D+00         -0.134655         -0.310055
 Vib (Bot)    5  0.636704D+00         -0.196063         -0.451451
 Vib (Bot)    6  0.616860D+00         -0.209814         -0.483113
 Vib (Bot)    7  0.491281D+00         -0.308670         -0.710738
 Vib (Bot)    8  0.466102D+00         -0.331519         -0.763352
 Vib (Bot)    9  0.463361D+00         -0.334081         -0.769250
 Vib (V=0)       0.212575D+02          1.327512          3.056710
 Vib (V=0)    1  0.184788D+01          0.266673          0.614037
 Vib (V=0)    2  0.158775D+01          0.200783          0.462319
 Vib (V=0)    3  0.148439D+01          0.171549          0.395005
 Vib (V=0)    4  0.138763D+01          0.142273          0.327597
 Vib (V=0)    5  0.130956D+01          0.117126          0.269693
 Vib (V=0)    6  0.129405D+01          0.111951          0.257777
 Vib (V=0)    7  0.120097D+01          0.079532          0.183129
 Vib (V=0)    8  0.118356D+01          0.073189          0.168525
 Vib (V=0)    9  0.118169D+01          0.072504          0.166947
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116257D+06          5.065419         11.663559
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 11 11111 1                                          
   000000                            2222 21                          444 4 3333 22 10000 0 9  988  777 6          333 32 222 1      
   888642                            8884 07                          997 1 4221 53 99877 3 8  075  965 8          887 09 630 6      
   641441                            6535 70                          996 3 3831 12 06486 2 2  214  730 4          860 79 426 1      
 
   XX XXX                            XXXX XX                          XXX X XXXX XX XXXXX X X  X X  XXX            X                 
   XX XXX                            XXXX XX                           X      XX XX   X                                              
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX    X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                                                                                                                            
   XX XXX                                                                                                                            
   XX  X                                                                                                                             
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.238794D-02  0.507750D-02
      2   0.238794D-02  0.649450D+02  0.474135D-02
      3   0.507750D-02  0.474135D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235388D-02 -0.402570D-02 -0.296612D-02
      2   0.446256D-03 -0.157889D-02  0.130004D-01
      3  -0.582297D-02 -0.588463D-02 -0.783142D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409237D+00  0.197116D-01  0.147110D+01
      2   0.187931D+01 -0.115702D+01 -0.535752D+00
      3  -0.147007D+01  0.113731D+01 -0.935345D+00
      4   0.225406D-01  0.189975D+01  0.199648D+01
      5   0.148254D+01  0.199965D+01 -0.143844D+01
      6   0.200575D+01 -0.531399D+00  0.113832D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.934253D+00  0.586258D-01  0.355348D+01  0.785700D-01  0.448617D+01
      2   0.586258D-01  0.447746D+01  0.475007D+01  0.448617D+01 -0.273494D+01
      3   0.355348D+01  0.475007D+01 -0.344904D+01  0.476315D+01 -0.130871D+01
                 6             7             8             9            10 
      1   0.476315D+01  0.349522D+01  0.477167D+01 -0.351945D+01 -0.726597D+00
      2  -0.130871D+01  0.477167D+01 -0.133950D+01  0.269205D+01 -0.721039D-01
      3   0.274401D+01 -0.351945D+01  0.269205D+01 -0.229035D+01 -0.256350D+01
                11            12            13            14            15 
      1  -0.721039D-01 -0.256350D+01  0.106747D+00 -0.434631D+01 -0.380125D+01
      2  -0.361272D+01 -0.381431D+01 -0.434631D+01  0.142023D+01  0.177540D+01
      3  -0.381431D+01  0.297364D+01 -0.380125D+01  0.177540D+01 -0.197986D+01
                16            17            18            19            20 
      1  -0.319523D+01 -0.378612D+01  0.225131D+01  0.215970D+01  0.254430D+00
      2  -0.378612D+01  0.114080D+01 -0.214786D+01  0.254430D+00 -0.369638D+01
      3   0.225131D+01 -0.214786D+01  0.309902D+01 -0.247621D+01 -0.399982D+01
                21            22            23            24            25 
      1  -0.247621D+01 -0.357197D+00 -0.302494D+01 -0.399881D+01 -0.286679D+01
      2  -0.399982D+01 -0.302494D+01  0.349401D+01  0.123793D+01 -0.394738D+01
      3   0.260774D+01 -0.399881D+01  0.123793D+01 -0.210234D+01  0.325217D+01
                26            27            28            29            30 
      1  -0.394738D+01  0.325217D+01  0.198135D+01 -0.800056D+00 -0.289716D+01
      2   0.776523D+00 -0.145415D+01 -0.800056D+00 -0.390147D+01 -0.381440D+01
      3  -0.145415D+01  0.291301D+01 -0.289716D+01 -0.381440D+01  0.276998D+01
                31            32            33            34            35 
      1   0.172582D-01 -0.344380D+01 -0.382034D+01 -0.259692D+01 -0.381717D+01
      2  -0.344380D+01  0.710984D+00  0.103033D+01 -0.381717D+01  0.130705D+01
      3  -0.382034D+01  0.103033D+01 -0.226931D+01  0.321495D+01 -0.305607D+01
                36            37            38            39            40 
      1   0.321495D+01 -0.325590D+00  0.433290D+00 -0.357901D+01 -0.167515D-01
      2  -0.305607D+01  0.433290D+00 -0.339619D+01 -0.388092D+01 -0.373680D+01
      3   0.975629D+00 -0.357901D+01 -0.388092D+01  0.300155D+01 -0.390156D+01
                41            42            43            44            45 
      1  -0.373680D+01 -0.390156D+01 -0.270744D+01 -0.386454D+01  0.268462D+01
      2   0.325511D+01  0.220434D+00 -0.386454D+01  0.102187D+01 -0.207783D+01
      3   0.220434D+00 -0.255470D+01  0.268462D+01 -0.207783D+01  0.383474D+00
                46            47            48            49            50 
      1  -0.773177D+00  0.432482D+00 -0.606082D+00  0.719763D+00  0.246921D+00
      2   0.432482D+00 -0.526178D+00  0.974299D+00  0.246921D+00  0.184013D+01
      3  -0.606082D+00  0.974299D+00 -0.215190D+01  0.348748D+00 -0.204933D+01
                51            52            53            54            55 
      1   0.348748D+00 -0.105229D+01  0.387362D+00 -0.354878D+00  0.318259D+01
      2  -0.204933D+01  0.387362D+00 -0.204906D+01  0.248211D+01 -0.180265D+01
      3   0.276739D+01 -0.354878D+00  0.248211D+01 -0.697990D+01 -0.102073D+01
                56            57            58            59            60 
      1  -0.180265D+01 -0.102073D+01 -0.322954D+01  0.272186D+01  0.172393D+01
      2   0.210507D+01  0.103378D+01  0.272186D+01 -0.441814D+01 -0.165917D+01
      3   0.103378D+01  0.881064D+00  0.172393D+01 -0.165917D+01 -0.192171D+01
                61            62            63            64            65 
      1  -0.698974D+00  0.956936D+00  0.899192D+00  0.491664D+01  0.237688D+01
      2   0.956936D+00 -0.109135D+01 -0.916278D+00  0.237688D+01  0.242314D+01
      3   0.899192D+00 -0.916278D+00 -0.167715D+01  0.823535D+00  0.694434D+00
                66            67            68            69            70 
      1   0.823535D+00  0.304729D+01  0.276426D+01  0.632528D+00  0.240166D+01
      2   0.694434D+00  0.276426D+01  0.307820D+01  0.369465D+00  0.134821D+01
      3   0.826352D+00  0.632528D+00  0.369465D+00  0.121644D+01  0.739800D+00
                71            72            73            74            75 
      1   0.134821D+01  0.739800D+00 -0.226912D+01  0.319389D+00 -0.161465D+01
      2   0.126891D+01  0.947959D+00  0.319389D+00 -0.270806D+00  0.631868D+00
      3   0.947959D+00  0.955124D+00 -0.161465D+01  0.631868D+00 -0.221791D+01
                76            77            78            79            80 
      1   0.134676D+01 -0.297365D+00  0.133921D+01 -0.217728D+01  0.556746D+00
      2  -0.297365D+00  0.884383D+00 -0.114009D+01  0.556746D+00 -0.143337D+01
      3   0.133921D+01 -0.114009D+01  0.231915D+01 -0.285118D+01  0.857172D+00
                81            82            83            84            85 
      1  -0.285118D+01 -0.604372D+01 -0.188673D+01  0.188075D+01 -0.121403D+01
      2   0.857172D+00 -0.188673D+01 -0.139695D+01  0.834987D+00 -0.106111D+01
      3  -0.632023D+01  0.188075D+01  0.834987D+00 -0.190699D+01  0.775177D+00
                86            87            88            89            90 
      1  -0.106111D+01  0.775177D+00  0.343750D+01  0.147852D+01 -0.197821D+01
      2  -0.151081D+01  0.483315D+00  0.147852D+01  0.137719D+01 -0.580809D+00
      3   0.483315D+00 -0.312867D+00 -0.197821D+01 -0.580809D+00  0.191531D+01
                91            92            93            94            95 
      1   0.111167D+01 -0.115812D+01 -0.192560D+00 -0.142083D+01  0.113179D+01
      2  -0.115812D+01  0.296195D+01  0.117771D+01  0.113179D+01 -0.732837D+01
      3  -0.192560D+00  0.117771D+01  0.810205D+00  0.531326D+00 -0.211437D+01
                96            97            98            99           100 
      1   0.531326D+00 -0.170687D+00  0.567662D+00  0.285922D-01 -0.200819D+01
      2  -0.211437D+01  0.567662D+00 -0.164683D+01 -0.133276D+01  0.138424D+01
      3  -0.160359D+01  0.285922D-01 -0.133276D+01 -0.148036D+01 -0.972441D+00
               101           102           103           104           105 
      1   0.138424D+01 -0.972441D+00  0.113001D+01 -0.101330D+01  0.105773D+01
      2  -0.109077D+01  0.110565D+01 -0.101330D+01  0.298440D+01 -0.175513D+01
      3   0.110565D+01 -0.150274D+01  0.105773D+01 -0.175513D+01  0.180411D+01
               106           107           108           109           110 
      1  -0.187043D+01  0.176190D+01 -0.184889D+01  0.210724D+01  0.167796D+01
      2   0.176190D+01 -0.332040D+01  0.245277D+01  0.167796D+01  0.355780D+01
      3  -0.184889D+01  0.245277D+01 -0.406357D+01  0.122729D+01  0.159440D+01
               111           112           113           114           115 
      1   0.122729D+01  0.142511D+01  0.173879D+01  0.960312D+00  0.123290D+01
      2   0.159440D+01  0.173879D+01  0.476074D+01  0.176488D+01  0.992097D+00
      3   0.135967D+01  0.960312D+00  0.176488D+01  0.175388D+01  0.579794D+00
               116           117           118           119           120 
      1   0.992097D+00  0.579794D+00 -0.543082D+01  0.590688D+00  0.290951D+01
      2   0.219288D+01  0.202226D+01  0.590688D+00 -0.968039D+00  0.122662D-01
      3   0.202226D+01  0.200598D+01  0.290951D+01  0.122662D-01 -0.277597D+01
               121           122           123           124           125 
      1  -0.845032D+00 -0.333550D+00  0.700851D+00  0.318130D+01 -0.655101D-01
      2  -0.333550D+00 -0.389973D+00  0.417801D+00 -0.655101D-01  0.974462D+00
      3   0.700851D+00  0.417801D+00 -0.418963D+00 -0.273113D+01  0.593075D+00
               126           127           128           129           130 
      1  -0.273113D+01  0.241103D+01 -0.210649D+01  0.452999D+00 -0.237172D+01
      2   0.593075D+00 -0.210649D+01  0.285176D+01  0.138463D+00  0.293921D+01
      3   0.324775D+01  0.452999D+00  0.138463D+00  0.520606D+00  0.697910D-01
               131           132           133           134           135 
      1   0.293921D+01  0.697910D-01 -0.437948D+00  0.788351D+00  0.180525D+00
      2  -0.659912D+01  0.369645D+00  0.788351D+00 -0.120525D+01 -0.540231D+00
      3   0.369645D+00 -0.120949D+01  0.180525D+00 -0.540231D+00 -0.497004D+00
               136           137           138           139           140 
      1  -0.316234D+01 -0.916007D+00  0.251927D+01 -0.644813D+00 -0.445905D+00
      2  -0.916007D+00 -0.122668D+01  0.148854D+01 -0.445905D+00 -0.131919D+01
      3   0.251927D+01  0.148854D+01 -0.403306D+01  0.842154D+00  0.112888D+01
               141           142           143           144           145 
      1   0.842154D+00  0.205364D+01  0.875295D+00 -0.218883D+01  0.380359D+01
      2   0.112888D+01  0.875295D+00  0.110332D+01 -0.113729D+01  0.121418D+01
      3  -0.882328D+00 -0.218883D+01 -0.113729D+01  0.476602D+01  0.255553D+01
               146           147           148           149           150 
      1   0.121418D+01  0.255553D+01  0.222841D+01  0.167407D+01  0.177705D+01
      2   0.170900D+01  0.107298D+01  0.167407D+01  0.187237D+01  0.122871D+01
      3   0.107298D+01  0.228679D+01  0.177705D+01  0.122871D+01  0.265017D+01
               151           152           153 
      1   0.197178D+01  0.995962D+00  0.164161D+01
      2   0.995962D+00  0.922755D+00  0.119589D+01
      3   0.164161D+01  0.119589D+01  0.304724D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.917319D-02  0.130109D-02  0.600779D-02  0.118342D-01 -0.132736D-01
      2  -0.837943D-02  0.143767D-02  0.478289D+01  0.155882D-02  0.463264D-03
      3  -0.326956D-01 -0.478079D+01 -0.131780D-01  0.476823D+01 -0.224391D-01
                 6             7             8             9            10 
      1  -0.478689D+01  0.174401D-01  0.476472D+01 -0.267567D-02  0.106932D+01
      2   0.479712D-02 -0.475990D+01 -0.109705D-01  0.101903D-01 -0.615645D+01
      3  -0.120522D-01  0.466324D-02 -0.773534D-02 -0.630238D-02 -0.809234D+00
                11            12            13            14            15 
      1   0.611279D+01  0.334260D+01  0.755249D+01 -0.173539D+01 -0.390960D+01
      2  -0.559990D+01  0.314577D+01 -0.523063D+01 -0.245103D+01 -0.714923D+01
      3   0.378313D+01  0.453658D+01  0.909507D+01 -0.296747D+01 -0.510889D+01
                16            17            18            19            20 
      1   0.382594D+01  0.887499D+00  0.685236D+00 -0.294358D+01 -0.180440D+01
      2  -0.324536D+01 -0.757548D+01  0.857342D+01  0.574057D+01  0.555711D+01
      3   0.410843D+01 -0.360746D+01  0.375862D+01 -0.364847D+01 -0.672487D+01
                21            22            23            24            25 
      1   0.666578D+01 -0.273014D+01 -0.254322D+01 -0.507347D+01  0.786185D+01
      2  -0.334704D+01  0.468091D+01 -0.390448D+01 -0.133696D+01 -0.866600D+01
      3  -0.261345D+01 -0.780179D+00  0.897422D+01  0.663742D+01 -0.173135D+01
                26            27            28            29            30 
      1   0.238529D+00  0.549156D+01  0.405594D+01  0.420163D+01 -0.646969D+01
      2  -0.257868D+01 -0.189667D+01  0.109333D+01  0.415218D+01  0.529704D+00
      3   0.566464D+01 -0.528343D+01  0.389223D+01 -0.784876D+01 -0.821094D+01
                31            32            33            34            35 
      1   0.457267D+01 -0.207780D+01  0.299368D+01 -0.766511D+01  0.877966D+01
      2   0.349895D+01  0.684579D+00  0.418062D+01 -0.380254D+01  0.536743D+01
      3  -0.154747D+01 -0.622830D+01 -0.526307D+01 -0.745214D+01 -0.485633D+01
                36            37            38            39            40 
      1  -0.201792D+01 -0.217112D+01 -0.848754D+01 -0.354678D+01 -0.937336D+01
      2  -0.180052D+01 -0.695327D+00 -0.412154D+01  0.105500D+02 -0.300424D+01
      3   0.230253D+01  0.585751D+00 -0.171591D+00  0.629538D+01  0.424826D+01
                41            42            43            44            45 
      1   0.641770D+01 -0.490209D+01 -0.399284D+01  0.124378D+01 -0.421487D+01
      2   0.566223D+01  0.432124D+01  0.455098D+01  0.478163D+01 -0.490254D+01
      3   0.205843D+00  0.370989D+01  0.512793D+01  0.277516D+01 -0.791485D+00
                46            47            48            49            50 
      1  -0.300245D+00  0.913717D+00  0.132674D+00 -0.346270D+00 -0.214248D+01
      2  -0.269385D+01  0.161773D+01 -0.217082D+01  0.264339D+01 -0.230742D+01
      3  -0.136582D+01 -0.465056D-01 -0.132272D+01  0.143927D+01 -0.193322D+01
                51            52            53            54            55 
      1  -0.152921D+00 -0.377644D+00  0.395785D+01  0.711816D+00  0.239482D+01
      2   0.419986D+01 -0.494893D+01  0.398466D+01 -0.935955D+01  0.240699D+01
      3   0.264358D+01 -0.215420D+01  0.275083D+01 -0.361392D+01  0.257074D+01
                56            57            58            59            60 
      1  -0.358273D+01 -0.734232D+00 -0.328262D+01  0.653711D+01 -0.152068D-01
      2  -0.554071D+00  0.161607D+01 -0.198184D+01  0.864886D+00 -0.192608D+01
      3  -0.541264D+01 -0.183378D+01 -0.221613D+01  0.850591D+01  0.242407D+01
                61            62            63            64            65 
      1  -0.146762D+01  0.268731D+01  0.956953D+00 -0.302436D+01 -0.279291D+01
      2  -0.820842D+00  0.195854D-01 -0.149679D+01  0.590285D+01  0.384947D+01
      3  -0.134470D+01  0.252003D+01  0.145421D+01 -0.406638D+00 -0.455570D+01
                66            67            68            69            70 
      1  -0.235759D+01 -0.307242D+01 -0.294652D+01 -0.290374D+01 -0.154518D+01
      2   0.444428D+01  0.394291D+01  0.356633D+01  0.400910D+01  0.207656D+01
      3  -0.832382D+00 -0.719827D+00 -0.407053D+01 -0.479900D+00 -0.129550D+00
                71            72            73            74            75 
      1  -0.763151D+00 -0.218129D+01 -0.195759D+01  0.188087D+01 -0.311097D+01
      2   0.264753D+01  0.312641D+01 -0.750714D+00 -0.562231D+00  0.273835D+01
      3  -0.199306D+01 -0.111062D+01  0.233135D+01 -0.198031D+01  0.251471D+01
                76            77            78            79            80 
      1   0.131389D+01 -0.304386D+01  0.228421D+01 -0.341896D+01  0.520547D+01
      2   0.580231D+00  0.118303D+01 -0.202154D+01 -0.109141D+01 -0.865655D+00
      3  -0.427793D+00  0.198922D+01 -0.249310D+01  0.253068D+01 -0.365388D+01
                81            82            83            84            85 
      1  -0.704488D+01  0.370630D+01  0.116318D+01 -0.382256D+01  0.167633D+01
      2   0.580260D+01 -0.604535D+01 -0.234988D+01  0.665117D+01 -0.195688D+01
      3   0.428794D+01  0.494712D+01 -0.195073D+01 -0.134826D+01  0.138871D+01
                86            87            88            89            90 
      1   0.121983D+01 -0.171856D+01 -0.306706D+01  0.178488D-01  0.321237D+01
      2  -0.125714D+01  0.160510D+01  0.334137D+01  0.141630D+01 -0.526035D+01
      3  -0.101096D+01 -0.429940D+00 -0.252438D+01  0.132137D+01  0.165569D+01
                91            92            93            94            95 
      1   0.811153D+00 -0.139098D+01  0.100274D+01 -0.536774D+00  0.418692D+01
      2   0.163751D+01 -0.200073D+01  0.165656D+00 -0.278342D+01  0.348539D+01
      3  -0.387298D+01  0.321424D+01  0.118876D+01  0.628455D+01 -0.902022D+01
                96            97            98            99           100 
      1  -0.276486D+01 -0.467464D+00  0.108857D+01 -0.110367D+01  0.190452D+01
      2   0.169391D+01 -0.121132D+01  0.179590D+01  0.127382D+01  0.861420D+00
      3  -0.294516D+01  0.157859D+01 -0.268107D+01 -0.133680D+01 -0.218897D+01
               101           102           103           104           105 
      1  -0.170403D+01  0.372451D+01 -0.223450D+01  0.303126D+01 -0.537720D+01
      2  -0.147081D+01  0.300822D+01 -0.756959D+00  0.196607D+01 -0.280322D+01
      3  -0.202875D+00 -0.421300D+00  0.238852D+01  0.133972D+01  0.278206D+00
               106           107           108           109           110 
      1   0.328222D+01 -0.244657D+01  0.875719D+01 -0.119752D+01  0.389436D-02
      2   0.127563D+00 -0.248795D+01  0.532309D+01 -0.286280D+01 -0.186345D+01
      3  -0.248781D+01 -0.103068D+01 -0.794869D+00  0.607407D+01  0.336847D+01
               111           112           113           114           115 
      1  -0.248974D+01 -0.857168D+00  0.132929D+00 -0.391008D+01 -0.492211D+00
      2  -0.202045D+00 -0.246075D+01 -0.233761D+01 -0.130692D+01 -0.246118D+01
      3   0.305866D+01  0.609272D+01  0.572316D+01  0.319131D+01  0.399002D+01
               116           117           118           119           120 
      1  -0.535667D+00 -0.273376D+01 -0.424901D+01 -0.199775D+01  0.451740D+01
      2  -0.191221D+01 -0.120799D+01  0.111741D+01 -0.345243D+00  0.334520D+01
      3   0.292303D+01  0.241056D+01 -0.748835D+01 -0.276068D+01  0.458754D+01
               121           122           123           124           125 
      1  -0.938503D+00 -0.123440D+01 -0.680956D-01  0.398827D+01  0.173637D+01
      2   0.101496D+00 -0.226821D+00  0.350966D+00 -0.881921D+00 -0.373054D+00
      3  -0.420465D+00 -0.140203D+01  0.116571D+01  0.505217D+01  0.237314D+01
               126           127           128           129           130 
      1  -0.438180D+01 -0.261292D+01  0.464005D+01  0.193110D+01  0.442934D+01
      2  -0.261225D+01 -0.287463D+01  0.306676D+01  0.131684D+01  0.359270D+01
      3  -0.362291D+01 -0.152114D+01 -0.167861D+01 -0.463494D+00  0.253649D+01
               131           132           133           134           135 
      1  -0.922430D+01 -0.373808D+01  0.100128D+01 -0.108743D+01 -0.191736D+01
      2  -0.424850D+01 -0.233154D+01 -0.189698D+00 -0.124765D+01 -0.103606D+01
      3   0.294556D+01 -0.188681D+00  0.336266D+00  0.399880D+00  0.251683D+00
               136           137           138           139           140 
      1   0.685731D+00 -0.200935D+01 -0.145788D+01  0.147569D+00 -0.136891D+01
      2   0.801621D+01  0.192561D+01 -0.386511D+01  0.214647D+01  0.115011D+01
      3   0.377488D+01 -0.507450D+00 -0.261138D+01  0.173303D+01  0.631015D+00
               141           142           143           144           145 
      1  -0.261650D+00 -0.457017D+00  0.269736D+01  0.236386D+01  0.381937D+01
      2  -0.175963D+01 -0.696259D+01 -0.207312D+01  0.524253D+01 -0.468586D+01
      3  -0.128996D+01 -0.296769D+01 -0.512045D+00  0.253001D+01 -0.284274D+01
               146           147           148           149           150 
      1   0.485226D+01  0.266666D+01  0.366468D+01  0.480325D+01  0.182257D+01
      2  -0.130129D+01 -0.227127D+00 -0.301387D+01 -0.183009D+01  0.269523D+00
      3  -0.421868D+01 -0.251169D+01 -0.138485D+01 -0.365890D+01 -0.183675D+01
               151           152           153 
      1   0.297500D+01  0.400218D+01  0.342021D+01
      2  -0.353294D+01 -0.888864D+00  0.217987D+00
      3  -0.193694D+01 -0.238583D+01 -0.209090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.438188D+01 -0.294644D+01  0.268766D+01 -0.298411D+01 -0.172399D+01
      2  -0.179985D+01  0.315167D+01 -0.132473D+01  0.317182D+01  0.156946D+01
      3  -0.258203D+01 -0.205229D+00 -0.136292D+01 -0.187711D+00  0.154530D+00
      4  -0.305440D+01 -0.245498D+01 -0.884255D+00 -0.248587D+01  0.320248D+01
      5   0.277115D+01 -0.845945D+00 -0.325712D+01 -0.851423D+00 -0.129373D+01
      6  -0.881899D+00 -0.126551D+01 -0.291649D+00 -0.129688D+01 -0.376394D+01
                 6             7             8             9            10 
      1  -0.872798D+00  0.275308D+01 -0.833639D+00 -0.256209D+01 -0.513902D+01
      2  -0.374448D+01 -0.125999D+01 -0.379771D+01  0.194142D+00 -0.391679D+01
      3   0.461727D+01 -0.149309D+01  0.463135D+01  0.236795D+01  0.905581D+01
      4  -0.131400D+01 -0.864436D+00 -0.121816D+01 -0.157804D+00 -0.131924D+01
      5  -0.161724D+00 -0.331002D+01 -0.157044D+00 -0.144600D+01 -0.593268D+01
      6  -0.575262D+00 -0.154486D+00 -0.551552D+00  0.460663D+01 -0.404107D+01
                11            12            13            14            15 
      1  -0.430819D+01 -0.178483D+01 -0.433943D+01 -0.811484D+01 -0.138777D+02
      2  -0.605177D+01  0.367551D+01 -0.513545D+01  0.498513D+01  0.155455D+01
      3   0.103600D+02 -0.189068D+01  0.947488D+01  0.312971D+01  0.123231D+02
      4  -0.121293D+02 -0.974981D+01 -0.134943D+02  0.251019D+01  0.172641D+01
      5  -0.844319D+01  0.620138D+01 -0.941139D+01  0.667235D+01  0.305647D+01
      6   0.391032D+01  0.868519D+01  0.476065D+01 -0.385177D+01 -0.696228D+01
                16            17            18            19            20 
      1  -0.290989D+01 -0.140323D+02  0.134932D+02 -0.821437D+01 -0.912708D+01
      2   0.310295D+01  0.214270D+01 -0.143807D+01  0.245258D+01  0.676020D+01
      3  -0.193061D+00  0.118896D+02 -0.120552D+02  0.576179D+01  0.236688D+01
      4  -0.110040D+02  0.177314D+00 -0.976764D+00 -0.361881D+01  0.177731D+01
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                21            22            23            24            25 
      1   0.516048D+01 -0.847976D+01  0.135600D+02  0.891258D+01  0.630528D+01
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      6   0.383424D+00  0.950178D+01 -0.717251D+01 -0.143238D+01 -0.373014D-02
                26            27            28            29            30 
      1   0.955322D+01 -0.521632D+01 -0.303956D+01  0.723188D+01  0.108382D+02
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                31            32            33            34            35 
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                36            37            38            39            40 
      1  -0.213659D+01  0.291726D+01  0.172505D+01 -0.100932D+02  0.172127D+01
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                41            42            43            44            45 
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                46            47            48            49            50 
      1  -0.167372D+01  0.327070D+01 -0.566893D+01  0.284460D+01 -0.586854D+01
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                51            52            53            54            55 
      1   0.935569D+01 -0.414792D+01  0.892637D+01 -0.196036D+02  0.125944D+02
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      6   0.114876D+02 -0.136225D+01  0.114547D+02 -0.151911D+02  0.469393D+01
                56            57            58            59            60 
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                61            62            63            64            65 
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                66            67            68            69            70 
      1   0.387274D+01  0.105804D+02  0.485158D+01  0.297087D+01  0.802468D+01
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      6   0.646363D+00 -0.254342D+01 -0.183293D+01  0.346320D+01  0.517994D+00
                71            72            73            74            75 
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      4   0.539354D+01  0.352569D+01  0.133291D+01  0.279266D+01 -0.517115D+00
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      6   0.217560D+01  0.119289D+01  0.266291D+00  0.413798D+00  0.201049D+01
                76            77            78            79            80 
      1  -0.257379D+01 -0.146526D+01 -0.394796D+00  0.391525D+01 -0.155805D+01
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      4   0.188460D+01 -0.371466D+01  0.254414D+01  0.412665D+00  0.372146D+01
      5  -0.575395D+01  0.303510D+01 -0.685150D+01  0.141930D+02 -0.314939D+01
      6   0.444146D+00 -0.255948D+01  0.321537D+01  0.220542D+01  0.501097D+01
                81            82            83            84            85 
      1  -0.327381D+01  0.252075D+02  0.550460D+01 -0.765804D+01  0.413873D+01
      2  -0.184145D+02 -0.789133D+01  0.149366D+01  0.774402D+00  0.154765D+01
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      4  -0.409525D-02  0.167420D+02  0.104329D+02 -0.574213D+01  0.885528D+01
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      6   0.421479D+01 -0.381090D+01 -0.194208D+01  0.442758D+01 -0.232694D+01
                86            87            88            89            90 
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                91            92            93            94            95 
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                96            97            98            99           100 
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               101           102           103           104           105 
      1  -0.154507D+01  0.968193D+00 -0.116417D+01 -0.528170D+01  0.166607D+01
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               106           107           108           109           110 
      1   0.218015D+01  0.368801D+01 -0.259926D+01 -0.236343D+01 -0.861121D+01
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      4  -0.853967D+01  0.994626D+01 -0.755713D+01  0.898466D+01  0.695068D+01
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      6  -0.590293D+01  0.110748D+02 -0.153622D+02  0.506633D+01  0.834615D+01
               111           112           113           114           115 
      1  -0.538311D+01 -0.591751D+01 -0.152983D+02 -0.752482D+01 -0.440230D+01
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      3   0.134251D+01 -0.185841D+01 -0.774624D+01  0.361070D+00  0.824907D+00
      4   0.369653D+01  0.702866D+01  0.486009D+01  0.288679D+01  0.405617D+01
      5   0.352515D+01  0.137936D+01  0.151377D+01  0.563225D-01  0.409156D+01
      6   0.669799D+01  0.544399D+01  0.123290D+02  0.106343D+02  0.358060D+01
               116           117           118           119           120 
      1  -0.837879D+01 -0.675547D+01  0.181041D+02  0.509997D+00 -0.702000D+01
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      4   0.263897D+01  0.147142D+01 -0.114615D+02  0.626538D+01  0.603595D+01
      5   0.429793D+00  0.115979D+01 -0.153982D+02  0.794746D+00  0.131782D+02
      6   0.114881D+02  0.954701D+01  0.638077D+01 -0.185083D+01 -0.664929D+01
               121           122           123           124           125 
      1   0.280438D+01  0.763963D+00 -0.124774D+01 -0.788346D+01 -0.164972D+01
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      3   0.216137D+00  0.835619D-01 -0.173318D+01 -0.180970D+01 -0.127195D+01
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      6  -0.634745D+00 -0.155712D+00  0.269867D+01 -0.595704D+01  0.501673D+01
               126           127           128           129           130 
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      6   0.674596D+01 -0.383499D+01  0.603292D+01 -0.141478D+01  0.581043D+01
               131           132           133           134           135 
      1  -0.609992D+01  0.244381D+01 -0.108312D+01  0.389675D+00 -0.419723D+00
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      3  -0.165110D+02 -0.382209D+01  0.203649D+01 -0.436713D+01 -0.113521D+01
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      5   0.544503D+01 -0.227292D+01  0.237175D+01 -0.838455D+00 -0.128131D+01
      6  -0.127707D+02  0.625629D+01 -0.410098D+00  0.304001D+01  0.103857D+01
               136           137           138           139           140 
      1  -0.202876D+01 -0.360595D+01  0.906404D+01 -0.234392D+01 -0.346913D+01
      2  -0.413033D+01  0.498506D+00  0.549918D+01 -0.354098D+00  0.237439D+01
      3   0.615909D+01  0.310744D+01 -0.145632D+02  0.269801D+01  0.109474D+01
      4   0.629172D+01  0.427252D+01 -0.380118D+01  0.420124D+01  0.764001D+00
      5  -0.125217D+02 -0.271830D+01  0.106961D+02 -0.195537D+01 -0.194766D+01
      6  -0.494645D+01 -0.673234D+01  0.900396D+01 -0.359495D+01 -0.574853D+01
               141           142           143           144           145 
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      2  -0.105241D+01  0.282671D+01 -0.670491D+00 -0.917065D+01 -0.117063D+02
      3  -0.349885D+01 -0.933551D+01 -0.423175D+01  0.226103D+02  0.208793D+01
      4  -0.215591D+01 -0.335093D+01 -0.181783D+01  0.379542D+01  0.201480D+01
      5   0.283562D+01  0.983237D+01  0.305937D+01 -0.836668D+01  0.157446D+02
      6   0.754064D+01  0.584193D+01  0.774831D+01 -0.106447D+02  0.304364D+01
               146           147           148           149           150 
      1   0.297987D+01  0.257609D+01  0.429735D+01  0.778810D+00 -0.146270D+01
      2  -0.567872D+01 -0.936937D+01 -0.694976D+01 -0.142807D+01 -0.654677D+01
      3   0.269885D+01  0.679328D+01  0.265241D+01  0.649262D+00  0.800948D+01
      4   0.521275D+01  0.679527D+00  0.461120D+01  0.415933D+01  0.204204D+01
      5   0.550534D+01  0.138497D+02  0.897883D+01  0.604017D+01  0.897982D+01
      6   0.562529D+01  0.307514D+01  0.504337D+01  0.768993D+01  0.526266D+01
               151           152           153 
      1   0.242069D+01 -0.161897D+00 -0.259716D+01
      2  -0.782463D+01 -0.407800D+01 -0.104992D+02
      3   0.540394D+01  0.423990D+01  0.130964D+02
      4   0.351129D+00  0.142741D+01  0.190597D+01
      5   0.119158D+02  0.558989D+01  0.111155D+02
      6   0.333011D+01  0.508708D+01  0.327873D+01
 Leave Link  716 at Thu Jan 27 11:54:51 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.649487D+02  0.238794D-02  0.507750D-02
      2   0.238794D-02  0.649450D+02  0.474135D-02
      3   0.507750D-02  0.474135D-02  0.649621D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.235388D-02 -0.402570D-02 -0.296612D-02
      2   0.446256D-03 -0.157889D-02  0.130004D-01
      3  -0.582297D-02 -0.588463D-02 -0.783142D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409237D+00  0.197116D-01  0.147110D+01
      2   0.187931D+01 -0.115702D+01 -0.535752D+00
      3  -0.147007D+01  0.113731D+01 -0.935345D+00
      4   0.225406D-01  0.189975D+01  0.199648D+01
      5   0.148254D+01  0.199965D+01 -0.143844D+01
      6   0.200575D+01 -0.531399D+00  0.113832D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.934253D+00  0.586258D-01  0.355348D+01  0.785700D-01  0.448617D+01
      2   0.586258D-01  0.447746D+01  0.475007D+01  0.448617D+01 -0.273494D+01
      3   0.355348D+01  0.475007D+01 -0.344904D+01  0.476315D+01 -0.130871D+01
                 6             7             8             9            10 
      1   0.476315D+01  0.349522D+01  0.477167D+01 -0.351945D+01 -0.726597D+00
      2  -0.130871D+01  0.477167D+01 -0.133950D+01  0.269205D+01 -0.721039D-01
      3   0.274401D+01 -0.351945D+01  0.269205D+01 -0.229035D+01 -0.256350D+01
                11            12            13            14            15 
      1  -0.721039D-01 -0.256350D+01  0.106747D+00 -0.434631D+01 -0.380125D+01
      2  -0.361272D+01 -0.381431D+01 -0.434631D+01  0.142023D+01  0.177540D+01
      3  -0.381431D+01  0.297364D+01 -0.380125D+01  0.177540D+01 -0.197986D+01
                16            17            18            19            20 
      1  -0.319523D+01 -0.378612D+01  0.225131D+01  0.215970D+01  0.254430D+00
      2  -0.378612D+01  0.114080D+01 -0.214786D+01  0.254430D+00 -0.369638D+01
      3   0.225131D+01 -0.214786D+01  0.309902D+01 -0.247621D+01 -0.399982D+01
                21            22            23            24            25 
      1  -0.247621D+01 -0.357197D+00 -0.302494D+01 -0.399881D+01 -0.286679D+01
      2  -0.399982D+01 -0.302494D+01  0.349401D+01  0.123793D+01 -0.394738D+01
      3   0.260774D+01 -0.399881D+01  0.123793D+01 -0.210234D+01  0.325217D+01
                26            27            28            29            30 
      1  -0.394738D+01  0.325217D+01  0.198135D+01 -0.800056D+00 -0.289716D+01
      2   0.776523D+00 -0.145415D+01 -0.800056D+00 -0.390147D+01 -0.381440D+01
      3  -0.145415D+01  0.291301D+01 -0.289716D+01 -0.381440D+01  0.276998D+01
                31            32            33            34            35 
      1   0.172582D-01 -0.344380D+01 -0.382034D+01 -0.259692D+01 -0.381717D+01
      2  -0.344380D+01  0.710984D+00  0.103033D+01 -0.381717D+01  0.130705D+01
      3  -0.382034D+01  0.103033D+01 -0.226931D+01  0.321495D+01 -0.305607D+01
                36            37            38            39            40 
      1   0.321495D+01 -0.325590D+00  0.433290D+00 -0.357901D+01 -0.167515D-01
      2  -0.305607D+01  0.433290D+00 -0.339619D+01 -0.388092D+01 -0.373680D+01
      3   0.975629D+00 -0.357901D+01 -0.388092D+01  0.300155D+01 -0.390156D+01
                41            42            43            44            45 
      1  -0.373680D+01 -0.390156D+01 -0.270744D+01 -0.386454D+01  0.268462D+01
      2   0.325511D+01  0.220434D+00 -0.386454D+01  0.102187D+01 -0.207783D+01
      3   0.220434D+00 -0.255470D+01  0.268462D+01 -0.207783D+01  0.383474D+00
                46            47            48            49            50 
      1  -0.773177D+00  0.432482D+00 -0.606082D+00  0.719763D+00  0.246921D+00
      2   0.432482D+00 -0.526178D+00  0.974299D+00  0.246921D+00  0.184013D+01
      3  -0.606082D+00  0.974299D+00 -0.215190D+01  0.348748D+00 -0.204933D+01
                51            52            53            54            55 
      1   0.348748D+00 -0.105229D+01  0.387362D+00 -0.354878D+00  0.318259D+01
      2  -0.204933D+01  0.387362D+00 -0.204906D+01  0.248211D+01 -0.180265D+01
      3   0.276739D+01 -0.354878D+00  0.248211D+01 -0.697990D+01 -0.102073D+01
                56            57            58            59            60 
      1  -0.180265D+01 -0.102073D+01 -0.322954D+01  0.272186D+01  0.172393D+01
      2   0.210507D+01  0.103378D+01  0.272186D+01 -0.441814D+01 -0.165917D+01
      3   0.103378D+01  0.881064D+00  0.172393D+01 -0.165917D+01 -0.192171D+01
                61            62            63            64            65 
      1  -0.698974D+00  0.956936D+00  0.899192D+00  0.491664D+01  0.237688D+01
      2   0.956936D+00 -0.109135D+01 -0.916278D+00  0.237688D+01  0.242314D+01
      3   0.899192D+00 -0.916278D+00 -0.167715D+01  0.823535D+00  0.694434D+00
                66            67            68            69            70 
      1   0.823535D+00  0.304729D+01  0.276426D+01  0.632528D+00  0.240166D+01
      2   0.694434D+00  0.276426D+01  0.307820D+01  0.369465D+00  0.134821D+01
      3   0.826352D+00  0.632528D+00  0.369465D+00  0.121644D+01  0.739800D+00
                71            72            73            74            75 
      1   0.134821D+01  0.739800D+00 -0.226912D+01  0.319389D+00 -0.161465D+01
      2   0.126891D+01  0.947959D+00  0.319389D+00 -0.270806D+00  0.631868D+00
      3   0.947959D+00  0.955124D+00 -0.161465D+01  0.631868D+00 -0.221791D+01
                76            77            78            79            80 
      1   0.134676D+01 -0.297365D+00  0.133921D+01 -0.217728D+01  0.556746D+00
      2  -0.297365D+00  0.884383D+00 -0.114009D+01  0.556746D+00 -0.143337D+01
      3   0.133921D+01 -0.114009D+01  0.231915D+01 -0.285118D+01  0.857172D+00
                81            82            83            84            85 
      1  -0.285118D+01 -0.604372D+01 -0.188673D+01  0.188075D+01 -0.121403D+01
      2   0.857172D+00 -0.188673D+01 -0.139695D+01  0.834987D+00 -0.106111D+01
      3  -0.632023D+01  0.188075D+01  0.834987D+00 -0.190699D+01  0.775177D+00
                86            87            88            89            90 
      1  -0.106111D+01  0.775177D+00  0.343750D+01  0.147852D+01 -0.197821D+01
      2  -0.151081D+01  0.483315D+00  0.147852D+01  0.137719D+01 -0.580809D+00
      3   0.483315D+00 -0.312867D+00 -0.197821D+01 -0.580809D+00  0.191531D+01
                91            92            93            94            95 
      1   0.111167D+01 -0.115812D+01 -0.192560D+00 -0.142083D+01  0.113179D+01
      2  -0.115812D+01  0.296195D+01  0.117771D+01  0.113179D+01 -0.732837D+01
      3  -0.192560D+00  0.117771D+01  0.810205D+00  0.531326D+00 -0.211437D+01
                96            97            98            99           100 
      1   0.531326D+00 -0.170687D+00  0.567662D+00  0.285922D-01 -0.200819D+01
      2  -0.211437D+01  0.567662D+00 -0.164683D+01 -0.133276D+01  0.138424D+01
      3  -0.160359D+01  0.285922D-01 -0.133276D+01 -0.148036D+01 -0.972441D+00
               101           102           103           104           105 
      1   0.138424D+01 -0.972441D+00  0.113001D+01 -0.101330D+01  0.105773D+01
      2  -0.109077D+01  0.110565D+01 -0.101330D+01  0.298440D+01 -0.175513D+01
      3   0.110565D+01 -0.150274D+01  0.105773D+01 -0.175513D+01  0.180411D+01
               106           107           108           109           110 
      1  -0.187043D+01  0.176190D+01 -0.184889D+01  0.210724D+01  0.167796D+01
      2   0.176190D+01 -0.332040D+01  0.245277D+01  0.167796D+01  0.355780D+01
      3  -0.184889D+01  0.245277D+01 -0.406357D+01  0.122729D+01  0.159440D+01
               111           112           113           114           115 
      1   0.122729D+01  0.142511D+01  0.173879D+01  0.960312D+00  0.123290D+01
      2   0.159440D+01  0.173879D+01  0.476074D+01  0.176488D+01  0.992097D+00
      3   0.135967D+01  0.960312D+00  0.176488D+01  0.175388D+01  0.579794D+00
               116           117           118           119           120 
      1   0.992097D+00  0.579794D+00 -0.543082D+01  0.590688D+00  0.290951D+01
      2   0.219288D+01  0.202226D+01  0.590688D+00 -0.968039D+00  0.122662D-01
      3   0.202226D+01  0.200598D+01  0.290951D+01  0.122662D-01 -0.277597D+01
               121           122           123           124           125 
      1  -0.845032D+00 -0.333550D+00  0.700851D+00  0.318130D+01 -0.655101D-01
      2  -0.333550D+00 -0.389973D+00  0.417801D+00 -0.655101D-01  0.974462D+00
      3   0.700851D+00  0.417801D+00 -0.418963D+00 -0.273113D+01  0.593075D+00
               126           127           128           129           130 
      1  -0.273113D+01  0.241103D+01 -0.210649D+01  0.452999D+00 -0.237172D+01
      2   0.593075D+00 -0.210649D+01  0.285176D+01  0.138463D+00  0.293921D+01
      3   0.324775D+01  0.452999D+00  0.138463D+00  0.520606D+00  0.697910D-01
               131           132           133           134           135 
      1   0.293921D+01  0.697910D-01 -0.437948D+00  0.788351D+00  0.180525D+00
      2  -0.659912D+01  0.369645D+00  0.788351D+00 -0.120525D+01 -0.540231D+00
      3   0.369645D+00 -0.120949D+01  0.180525D+00 -0.540231D+00 -0.497004D+00
               136           137           138           139           140 
      1  -0.316234D+01 -0.916007D+00  0.251927D+01 -0.644813D+00 -0.445905D+00
      2  -0.916007D+00 -0.122668D+01  0.148854D+01 -0.445905D+00 -0.131919D+01
      3   0.251927D+01  0.148854D+01 -0.403306D+01  0.842154D+00  0.112888D+01
               141           142           143           144           145 
      1   0.842154D+00  0.205364D+01  0.875295D+00 -0.218883D+01  0.380359D+01
      2   0.112888D+01  0.875295D+00  0.110332D+01 -0.113729D+01  0.121418D+01
      3  -0.882328D+00 -0.218883D+01 -0.113729D+01  0.476602D+01  0.255553D+01
               146           147           148           149           150 
      1   0.121418D+01  0.255553D+01  0.222841D+01  0.167407D+01  0.177705D+01
      2   0.170900D+01  0.107298D+01  0.167407D+01  0.187237D+01  0.122871D+01
      3   0.107298D+01  0.228679D+01  0.177705D+01  0.122871D+01  0.265017D+01
               151           152           153 
      1   0.197178D+01  0.995962D+00  0.164161D+01
      2   0.995962D+00  0.922755D+00  0.119589D+01
      3   0.164161D+01  0.119589D+01  0.304724D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.917319D-02  0.130109D-02  0.600779D-02  0.118342D-01 -0.132736D-01
      2  -0.837943D-02  0.143767D-02  0.478289D+01  0.155882D-02  0.463264D-03
      3  -0.326956D-01 -0.478079D+01 -0.131780D-01  0.476823D+01 -0.224391D-01
                 6             7             8             9            10 
      1  -0.478689D+01  0.174401D-01  0.476472D+01 -0.267567D-02  0.106932D+01
      2   0.479712D-02 -0.475990D+01 -0.109705D-01  0.101903D-01 -0.615645D+01
      3  -0.120522D-01  0.466324D-02 -0.773534D-02 -0.630238D-02 -0.809234D+00
                11            12            13            14            15 
      1   0.611279D+01  0.334260D+01  0.755249D+01 -0.173539D+01 -0.390960D+01
      2  -0.559990D+01  0.314577D+01 -0.523063D+01 -0.245103D+01 -0.714923D+01
      3   0.378313D+01  0.453658D+01  0.909507D+01 -0.296747D+01 -0.510889D+01
                16            17            18            19            20 
      1   0.382594D+01  0.887499D+00  0.685236D+00 -0.294358D+01 -0.180440D+01
      2  -0.324536D+01 -0.757548D+01  0.857342D+01  0.574057D+01  0.555711D+01
      3   0.410843D+01 -0.360746D+01  0.375862D+01 -0.364847D+01 -0.672487D+01
                21            22            23            24            25 
      1   0.666578D+01 -0.273014D+01 -0.254322D+01 -0.507347D+01  0.786185D+01
      2  -0.334704D+01  0.468091D+01 -0.390448D+01 -0.133696D+01 -0.866600D+01
      3  -0.261345D+01 -0.780179D+00  0.897422D+01  0.663742D+01 -0.173135D+01
                26            27            28            29            30 
      1   0.238529D+00  0.549156D+01  0.405594D+01  0.420163D+01 -0.646969D+01
      2  -0.257868D+01 -0.189667D+01  0.109333D+01  0.415218D+01  0.529704D+00
      3   0.566464D+01 -0.528343D+01  0.389223D+01 -0.784876D+01 -0.821094D+01
                31            32            33            34            35 
      1   0.457267D+01 -0.207780D+01  0.299368D+01 -0.766511D+01  0.877966D+01
      2   0.349895D+01  0.684579D+00  0.418062D+01 -0.380254D+01  0.536743D+01
      3  -0.154747D+01 -0.622830D+01 -0.526307D+01 -0.745214D+01 -0.485633D+01
                36            37            38            39            40 
      1  -0.201792D+01 -0.217112D+01 -0.848754D+01 -0.354678D+01 -0.937336D+01
      2  -0.180052D+01 -0.695327D+00 -0.412154D+01  0.105500D+02 -0.300424D+01
      3   0.230253D+01  0.585751D+00 -0.171591D+00  0.629538D+01  0.424826D+01
                41            42            43            44            45 
      1   0.641770D+01 -0.490209D+01 -0.399284D+01  0.124378D+01 -0.421487D+01
      2   0.566223D+01  0.432124D+01  0.455098D+01  0.478163D+01 -0.490254D+01
      3   0.205843D+00  0.370989D+01  0.512793D+01  0.277516D+01 -0.791485D+00
                46            47            48            49            50 
      1  -0.300245D+00  0.913717D+00  0.132674D+00 -0.346270D+00 -0.214248D+01
      2  -0.269385D+01  0.161773D+01 -0.217082D+01  0.264339D+01 -0.230742D+01
      3  -0.136582D+01 -0.465056D-01 -0.132272D+01  0.143927D+01 -0.193322D+01
                51            52            53            54            55 
      1  -0.152921D+00 -0.377644D+00  0.395785D+01  0.711816D+00  0.239482D+01
      2   0.419986D+01 -0.494893D+01  0.398466D+01 -0.935955D+01  0.240699D+01
      3   0.264358D+01 -0.215420D+01  0.275083D+01 -0.361392D+01  0.257074D+01
                56            57            58            59            60 
      1  -0.358273D+01 -0.734232D+00 -0.328262D+01  0.653711D+01 -0.152068D-01
      2  -0.554071D+00  0.161607D+01 -0.198184D+01  0.864886D+00 -0.192608D+01
      3  -0.541264D+01 -0.183378D+01 -0.221613D+01  0.850591D+01  0.242407D+01
                61            62            63            64            65 
      1  -0.146762D+01  0.268731D+01  0.956953D+00 -0.302436D+01 -0.279291D+01
      2  -0.820842D+00  0.195854D-01 -0.149679D+01  0.590285D+01  0.384947D+01
      3  -0.134470D+01  0.252003D+01  0.145421D+01 -0.406638D+00 -0.455570D+01
                66            67            68            69            70 
      1  -0.235759D+01 -0.307242D+01 -0.294652D+01 -0.290374D+01 -0.154518D+01
      2   0.444428D+01  0.394291D+01  0.356633D+01  0.400910D+01  0.207656D+01
      3  -0.832382D+00 -0.719827D+00 -0.407053D+01 -0.479900D+00 -0.129550D+00
                71            72            73            74            75 
      1  -0.763151D+00 -0.218129D+01 -0.195759D+01  0.188087D+01 -0.311097D+01
      2   0.264753D+01  0.312641D+01 -0.750714D+00 -0.562231D+00  0.273835D+01
      3  -0.199306D+01 -0.111062D+01  0.233135D+01 -0.198031D+01  0.251471D+01
                76            77            78            79            80 
      1   0.131389D+01 -0.304386D+01  0.228421D+01 -0.341896D+01  0.520547D+01
      2   0.580231D+00  0.118303D+01 -0.202154D+01 -0.109141D+01 -0.865655D+00
      3  -0.427793D+00  0.198922D+01 -0.249310D+01  0.253068D+01 -0.365388D+01
                81            82            83            84            85 
      1  -0.704488D+01  0.370630D+01  0.116318D+01 -0.382256D+01  0.167633D+01
      2   0.580260D+01 -0.604535D+01 -0.234988D+01  0.665117D+01 -0.195688D+01
      3   0.428794D+01  0.494712D+01 -0.195073D+01 -0.134826D+01  0.138871D+01
                86            87            88            89            90 
      1   0.121983D+01 -0.171856D+01 -0.306706D+01  0.178488D-01  0.321237D+01
      2  -0.125714D+01  0.160510D+01  0.334137D+01  0.141630D+01 -0.526035D+01
      3  -0.101096D+01 -0.429940D+00 -0.252438D+01  0.132137D+01  0.165569D+01
                91            92            93            94            95 
      1   0.811153D+00 -0.139098D+01  0.100274D+01 -0.536774D+00  0.418692D+01
      2   0.163751D+01 -0.200073D+01  0.165656D+00 -0.278342D+01  0.348539D+01
      3  -0.387298D+01  0.321424D+01  0.118876D+01  0.628455D+01 -0.902022D+01
                96            97            98            99           100 
      1  -0.276486D+01 -0.467464D+00  0.108857D+01 -0.110367D+01  0.190452D+01
      2   0.169391D+01 -0.121132D+01  0.179590D+01  0.127382D+01  0.861420D+00
      3  -0.294516D+01  0.157859D+01 -0.268107D+01 -0.133680D+01 -0.218897D+01
               101           102           103           104           105 
      1  -0.170403D+01  0.372451D+01 -0.223450D+01  0.303126D+01 -0.537720D+01
      2  -0.147081D+01  0.300822D+01 -0.756959D+00  0.196607D+01 -0.280322D+01
      3  -0.202875D+00 -0.421300D+00  0.238852D+01  0.133972D+01  0.278206D+00
               106           107           108           109           110 
      1   0.328222D+01 -0.244657D+01  0.875719D+01 -0.119752D+01  0.389436D-02
      2   0.127563D+00 -0.248795D+01  0.532309D+01 -0.286280D+01 -0.186345D+01
      3  -0.248781D+01 -0.103068D+01 -0.794869D+00  0.607407D+01  0.336847D+01
               111           112           113           114           115 
      1  -0.248974D+01 -0.857168D+00  0.132929D+00 -0.391008D+01 -0.492211D+00
      2  -0.202045D+00 -0.246075D+01 -0.233761D+01 -0.130692D+01 -0.246118D+01
      3   0.305866D+01  0.609272D+01  0.572316D+01  0.319131D+01  0.399002D+01
               116           117           118           119           120 
      1  -0.535667D+00 -0.273376D+01 -0.424901D+01 -0.199775D+01  0.451740D+01
      2  -0.191221D+01 -0.120799D+01  0.111741D+01 -0.345243D+00  0.334520D+01
      3   0.292303D+01  0.241056D+01 -0.748835D+01 -0.276068D+01  0.458754D+01
               121           122           123           124           125 
      1  -0.938503D+00 -0.123440D+01 -0.680956D-01  0.398827D+01  0.173637D+01
      2   0.101496D+00 -0.226821D+00  0.350966D+00 -0.881921D+00 -0.373054D+00
      3  -0.420465D+00 -0.140203D+01  0.116571D+01  0.505217D+01  0.237314D+01
               126           127           128           129           130 
      1  -0.438180D+01 -0.261292D+01  0.464005D+01  0.193110D+01  0.442934D+01
      2  -0.261225D+01 -0.287463D+01  0.306676D+01  0.131684D+01  0.359270D+01
      3  -0.362291D+01 -0.152114D+01 -0.167861D+01 -0.463494D+00  0.253649D+01
               131           132           133           134           135 
      1  -0.922430D+01 -0.373808D+01  0.100128D+01 -0.108743D+01 -0.191736D+01
      2  -0.424850D+01 -0.233154D+01 -0.189698D+00 -0.124765D+01 -0.103606D+01
      3   0.294556D+01 -0.188681D+00  0.336266D+00  0.399880D+00  0.251683D+00
               136           137           138           139           140 
      1   0.685731D+00 -0.200935D+01 -0.145788D+01  0.147569D+00 -0.136891D+01
      2   0.801621D+01  0.192561D+01 -0.386511D+01  0.214647D+01  0.115011D+01
      3   0.377488D+01 -0.507450D+00 -0.261138D+01  0.173303D+01  0.631015D+00
               141           142           143           144           145 
      1  -0.261650D+00 -0.457017D+00  0.269736D+01  0.236386D+01  0.381937D+01
      2  -0.175963D+01 -0.696259D+01 -0.207312D+01  0.524253D+01 -0.468586D+01
      3  -0.128996D+01 -0.296769D+01 -0.512045D+00  0.253001D+01 -0.284274D+01
               146           147           148           149           150 
      1   0.485226D+01  0.266666D+01  0.366468D+01  0.480325D+01  0.182257D+01
      2  -0.130129D+01 -0.227127D+00 -0.301387D+01 -0.183009D+01  0.269523D+00
      3  -0.421868D+01 -0.251169D+01 -0.138485D+01 -0.365890D+01 -0.183675D+01
               151           152           153 
      1   0.297500D+01  0.400218D+01  0.342021D+01
      2  -0.353294D+01 -0.888864D+00  0.217987D+00
      3  -0.193694D+01 -0.238583D+01 -0.209090D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.438188D+01 -0.294644D+01  0.268766D+01 -0.298411D+01 -0.172399D+01
      2  -0.179985D+01  0.315167D+01 -0.132473D+01  0.317182D+01  0.156946D+01
      3  -0.258203D+01 -0.205229D+00 -0.136292D+01 -0.187711D+00  0.154530D+00
      4  -0.305440D+01 -0.245498D+01 -0.884255D+00 -0.248587D+01  0.320248D+01
      5   0.277115D+01 -0.845945D+00 -0.325712D+01 -0.851423D+00 -0.129373D+01
      6  -0.881899D+00 -0.126551D+01 -0.291649D+00 -0.129688D+01 -0.376394D+01
                 6             7             8             9            10 
      1  -0.872798D+00  0.275308D+01 -0.833639D+00 -0.256209D+01 -0.513902D+01
      2  -0.374448D+01 -0.125999D+01 -0.379771D+01  0.194142D+00 -0.391679D+01
      3   0.461727D+01 -0.149309D+01  0.463135D+01  0.236795D+01  0.905581D+01
      4  -0.131400D+01 -0.864436D+00 -0.121816D+01 -0.157804D+00 -0.131924D+01
      5  -0.161724D+00 -0.331002D+01 -0.157044D+00 -0.144600D+01 -0.593268D+01
      6  -0.575262D+00 -0.154486D+00 -0.551552D+00  0.460663D+01 -0.404107D+01
                11            12            13            14            15 
      1  -0.430819D+01 -0.178483D+01 -0.433943D+01 -0.811484D+01 -0.138777D+02
      2  -0.605177D+01  0.367551D+01 -0.513545D+01  0.498513D+01  0.155455D+01
      3   0.103600D+02 -0.189068D+01  0.947488D+01  0.312971D+01  0.123231D+02
      4  -0.121293D+02 -0.974981D+01 -0.134943D+02  0.251019D+01  0.172641D+01
      5  -0.844319D+01  0.620138D+01 -0.941139D+01  0.667235D+01  0.305647D+01
      6   0.391032D+01  0.868519D+01  0.476065D+01 -0.385177D+01 -0.696228D+01
                16            17            18            19            20 
      1  -0.290989D+01 -0.140323D+02  0.134932D+02 -0.821437D+01 -0.912708D+01
      2   0.310295D+01  0.214270D+01 -0.143807D+01  0.245258D+01  0.676020D+01
      3  -0.193061D+00  0.118896D+02 -0.120552D+02  0.576179D+01  0.236688D+01
      4  -0.110040D+02  0.177314D+00 -0.976764D+00 -0.361881D+01  0.177731D+01
      5   0.630659D+01  0.224510D+01 -0.134277D+01  0.539638D+01  0.709137D+01
      6   0.690900D+01 -0.664054D+01  0.773261D+01  0.648316D+01  0.110026D+02
                21            22            23            24            25 
      1   0.516048D+01 -0.847976D+01  0.135600D+02  0.891258D+01  0.630528D+01
      2   0.861234D+01  0.473130D+01 -0.137124D+02 -0.110915D+02  0.755708D+01
      3  -0.137728D+02  0.374846D+01  0.152341D+00  0.217888D+01 -0.138624D+02
      4   0.107562D+02  0.270258D+01  0.362308D+01  0.467226D+01  0.117743D+02
      5  -0.573982D+01  0.754210D+01  0.401391D+01  0.834359D+01 -0.716958D+01
      6   0.383424D+00  0.950178D+01 -0.717251D+01 -0.143238D+01 -0.373014D-02
                26            27            28            29            30 
      1   0.955322D+01 -0.521632D+01 -0.303956D+01  0.723188D+01  0.108382D+02
      2  -0.105026D+02  0.113125D+02  0.484835D+01 -0.948869D+01 -0.166387D+02
      3   0.949392D+00 -0.609622D+01 -0.180879D+01  0.225682D+01  0.580052D+01
      4   0.506205D+01  0.550340D+00  0.204366D+01 -0.674976D+00 -0.214250D+01
      5   0.655132D+01 -0.894987D+01  0.650628D+01  0.286988D+01 -0.102352D+02
      6  -0.756562D+00  0.111430D+01 -0.530317D+01 -0.132986D+02  0.402634D+01
                31            32            33            34            35 
      1   0.661562D+01  0.501791D+01  0.573412D+01  0.110946D+02  0.465353D+01
      2  -0.828439D+01 -0.171962D+01 -0.401738D+00 -0.163303D+02 -0.232287D-01
      3   0.166877D+01 -0.329828D+01 -0.533239D+01  0.523569D+01 -0.463030D+01
      4   0.232190D+00 -0.105525D+02 -0.112370D+02 -0.116897D+01 -0.122239D+02
      5   0.476838D+01 -0.668917D+01  0.637384D+00 -0.104702D+02  0.218164D+01
      6  -0.121034D+02  0.241228D+01 -0.840542D+01  0.503508D+01 -0.942349D+01
                36            37            38            39            40 
      1  -0.213659D+01  0.291726D+01  0.172505D+01 -0.100932D+02  0.172127D+01
      2  -0.263835D+01  0.398660D+01  0.136872D+02  0.239818D+01  0.135029D+02
      3   0.477494D+01 -0.690385D+01 -0.154122D+02  0.769499D+01 -0.152241D+02
      4   0.793855D+01 -0.153356D+01 -0.758716D+01 -0.640170D-01 -0.806132D+01
      5  -0.219015D-01 -0.173996D+01 -0.277082D+01 -0.101315D+02 -0.409427D+01
      6   0.327979D+01  0.165158D+01 -0.344258D+01 -0.134720D+02 -0.409129D+01
                41            42            43            44            45 
      1  -0.318248D+01 -0.202496D+01 -0.104614D+02 -0.148590D+01 -0.186832D+00
      2  -0.712094D+01  0.428037D+01  0.371044D+01  0.292250D+01  0.283437D+01
      3   0.103034D+02 -0.225541D+01  0.675095D+01 -0.143660D+01 -0.264754D+01
      4   0.922152D+01  0.293418D+01 -0.836112D+00  0.499377D+01 -0.789317D+01
      5  -0.589757D+01 -0.123920D+02 -0.826060D+01 -0.113489D+02  0.816314D+01
      6   0.307052D+01  0.112182D+01 -0.123189D+02  0.134335D+01 -0.531383D+01
                46            47            48            49            50 
      1  -0.167372D+01  0.327070D+01 -0.566893D+01  0.284460D+01 -0.586854D+01
      2  -0.370016D+00 -0.102635D+01 -0.168809D+01 -0.849536D+00  0.235213D+01
      3   0.204373D+01 -0.224435D+01  0.735702D+01 -0.199506D+01  0.351641D+01
      4  -0.822170D+00  0.213555D+01 -0.155874D+00  0.365468D+01  0.225989D+01
      5   0.307898D+01 -0.681365D+00  0.274191D+01 -0.175228D+01 -0.259626D+01
      6  -0.182965D+01  0.299707D+01 -0.394373D+01  0.304556D+00 -0.867020D+01
                51            52            53            54            55 
      1   0.935569D+01 -0.414792D+01  0.892637D+01 -0.196036D+02  0.125944D+02
      2   0.257338D+00  0.103387D+01 -0.306134D+00 -0.101771D+02 -0.712340D+01
      3  -0.961303D+01  0.311405D+01 -0.862024D+01  0.297807D+02 -0.547096D+01
      4  -0.277575D+01 -0.845556D+00 -0.338347D+01  0.347928D+01 -0.774584D+01
      5   0.360103D+01  0.556896D+01  0.294929D+01 -0.892504D+01 -0.932441D+01
      6   0.114876D+02 -0.136225D+01  0.114547D+02 -0.151911D+02  0.469393D+01
                56            57            58            59            60 
      1  -0.558831D+01 -0.284574D+01 -0.893546D+01  0.286625D+01  0.133172D+01
      2   0.422066D+01  0.385819D+01  0.592295D+01  0.942525D+00 -0.394784D+01
      3   0.136766D+01 -0.101245D+01  0.301251D+01 -0.380877D+01  0.261613D+01
      4   0.103207D+02  0.398757D+01  0.118098D+02 -0.153615D+02 -0.488473D+01
      5   0.661366D+01  0.689745D+01  0.100502D+02 -0.750656D+01 -0.874387D+01
      6  -0.518387D+01 -0.341597D+01 -0.618772D+01  0.117931D+02  0.728282D+01
                61            62            63            64            65 
      1  -0.190847D+01  0.157632D+01 -0.123417D+01  0.217264D+02  0.874411D+01
      2   0.348306D+01 -0.260907D+01 -0.361907D+01 -0.599025D+01  0.102851D+01
      3  -0.157459D+01  0.103275D+01  0.485324D+01 -0.157361D+02 -0.977261D+01
      4   0.351257D+01 -0.344125D+01 -0.345100D+01  0.146044D+02  0.133282D+02
      5   0.650771D+01 -0.532230D+01 -0.639255D+01 -0.182773D+01 -0.591056D-01
      6  -0.362899D+01  0.621081D+01  0.299299D+01 -0.153433D+01 -0.275625D+01
                66            67            68            69            70 
      1   0.387274D+01  0.105804D+02  0.485158D+01  0.297087D+01  0.802468D+01
      2  -0.147705D+00  0.475913D+00  0.567615D+01  0.173803D+01 -0.209909D+01
      3  -0.372504D+01 -0.110563D+02 -0.105277D+02 -0.470890D+01 -0.592559D+01
      4   0.333343D+01  0.145060D+02  0.136753D+02  0.221031D+01  0.619144D+01
      5   0.463342D+01 -0.917494D+00 -0.991603D+00  0.369692D+01  0.322529D+01
      6   0.646363D+00 -0.254342D+01 -0.183293D+01  0.346320D+01  0.517994D+00
                71            72            73            74            75 
      1   0.322752D+01  0.132628D+01  0.710385D+01 -0.528529D+00  0.312233D+01
      2   0.217593D+01 -0.918876D-01 -0.787083D+01  0.155318D+01 -0.843761D+01
      3  -0.540345D+01 -0.123439D+01  0.766977D+00 -0.102465D+01  0.531528D+01
      4   0.539354D+01  0.352569D+01  0.133291D+01  0.279266D+01 -0.517115D+00
      5   0.247613D+01  0.456811D+01  0.943238D+01 -0.272064D+01  0.123156D+02
      6   0.217560D+01  0.119289D+01  0.266291D+00  0.413798D+00  0.201049D+01
                76            77            78            79            80 
      1  -0.257379D+01 -0.146526D+01 -0.394796D+00  0.391525D+01 -0.155805D+01
      2   0.340918D+01 -0.934352D+00  0.705012D+01 -0.986123D+01  0.558107D+01
      3  -0.835385D+00  0.239961D+01 -0.665532D+01  0.594598D+01 -0.402302D+01
      4   0.188460D+01 -0.371466D+01  0.254414D+01  0.412665D+00  0.372146D+01
      5  -0.575395D+01  0.303510D+01 -0.685150D+01  0.141930D+02 -0.314939D+01
      6   0.444146D+00 -0.255948D+01  0.321537D+01  0.220542D+01  0.501097D+01
                81            82            83            84            85 
      1  -0.327381D+01  0.252075D+02  0.550460D+01 -0.765804D+01  0.413873D+01
      2  -0.184145D+02 -0.789133D+01  0.149366D+01  0.774402D+00  0.154765D+01
      3   0.216884D+02 -0.173161D+02 -0.699826D+01  0.688364D+01 -0.568637D+01
      4  -0.409525D-02  0.167420D+02  0.104329D+02 -0.574213D+01  0.885528D+01
      5   0.205315D+02 -0.395022D+01 -0.137844D+01  0.754364D+01 -0.118445D+01
      6   0.421479D+01 -0.381090D+01 -0.194208D+01  0.442758D+01 -0.232694D+01
                86            87            88            89            90 
      1   0.773492D+00 -0.175699D+01 -0.114738D+02 -0.194550D+01  0.479732D+01
      2   0.426976D+01 -0.159038D+00  0.257618D+01 -0.172424D+01 -0.309465D+01
      3  -0.504325D+01  0.191603D+01  0.889762D+01  0.366974D+01 -0.170267D+01
      4   0.621214D+01 -0.383888D+01 -0.914039D+01 -0.695536D+01  0.440620D+01
      5  -0.176806D+01  0.612659D+00  0.702007D+01  0.139702D+01 -0.676716D+01
      6  -0.359313D+00  0.299253D+01  0.412907D+01  0.294929D+01 -0.569066D+01
                91            92            93            94            95 
      1  -0.188168D+01  0.811994D+01  0.246163D+01  0.614121D+01 -0.214046D+02
      2   0.360189D+01 -0.102912D+02 -0.198938D+01 -0.581772D+01  0.314961D+02
      3  -0.172021D+01  0.217127D+01 -0.472246D+00 -0.323491D+00 -0.100916D+02
      4  -0.401999D+01  0.371274D+01  0.123465D+00  0.575297D+01  0.408915D+01
      5  -0.313202D+01  0.155849D+01  0.191486D+01  0.234520D+01 -0.336096D+00
      6   0.207002D+01 -0.629336D+01 -0.464048D+01 -0.307422D+01  0.171382D+02
                96            97            98            99           100 
      1  -0.780679D+01  0.106444D+01 -0.687429D+01 -0.473971D+01  0.444669D+01
      2   0.670564D+01 -0.159779D+01  0.581461D+01  0.190671D+01  0.214805D+00
      3   0.110115D+01  0.533347D+00  0.105968D+01  0.283300D+01 -0.466150D+01
      4   0.109803D+01  0.149127D+00  0.957086D+00  0.242435D+00 -0.840210D+01
      5   0.564749D+00  0.283935D+01 -0.169154D+00  0.140506D+01  0.330045D+01
      6   0.108759D+02 -0.180840D+01  0.971742D+01  0.646292D+01 -0.347327D+01
               101           102           103           104           105 
      1  -0.154507D+01  0.968193D+00 -0.116417D+01 -0.528170D+01  0.166607D+01
      2  -0.318530D+01  0.238772D+01 -0.325236D+01  0.130351D+02 -0.615895D+01
      3   0.473037D+01 -0.335592D+01  0.441653D+01 -0.775336D+01  0.449288D+01
      4   0.832362D+01 -0.522499D+01  0.769111D+01 -0.858702D+01  0.665997D+01
      5  -0.294723D+01  0.654281D+01 -0.251212D+01  0.405803D+01 -0.361826D+01
      6   0.443729D+01 -0.512858D+01  0.454978D+01 -0.754318D+01  0.950566D+01
               106           107           108           109           110 
      1   0.218015D+01  0.368801D+01 -0.259926D+01 -0.236343D+01 -0.861121D+01
      2   0.236217D+01 -0.101765D+02  0.269585D+01  0.393159D+01  0.130424D+02
      3  -0.454232D+01  0.648849D+01 -0.965890D-01 -0.156816D+01 -0.443121D+01
      4  -0.853967D+01  0.994626D+01 -0.755713D+01  0.898466D+01  0.695068D+01
      5   0.703394D+01 -0.469360D+01  0.920108D+01  0.302644D+01  0.171271D+01
      6  -0.590293D+01  0.110748D+02 -0.153622D+02  0.506633D+01  0.834615D+01
               111           112           113           114           115 
      1  -0.538311D+01 -0.591751D+01 -0.152983D+02 -0.752482D+01 -0.440230D+01
      2   0.404060D+01  0.777592D+01  0.230445D+02  0.716375D+01  0.357740D+01
      3   0.134251D+01 -0.185841D+01 -0.774624D+01  0.361070D+00  0.824907D+00
      4   0.369653D+01  0.702866D+01  0.486009D+01  0.288679D+01  0.405617D+01
      5   0.352515D+01  0.137936D+01  0.151377D+01  0.563225D-01  0.409156D+01
      6   0.669799D+01  0.544399D+01  0.123290D+02  0.106343D+02  0.358060D+01
               116           117           118           119           120 
      1  -0.837879D+01 -0.675547D+01  0.181041D+02  0.509997D+00 -0.702000D+01
      2   0.834888D+01  0.375780D+01 -0.131163D+02 -0.253842D+01  0.949151D+01
      3   0.299070D-01  0.299767D+01 -0.498783D+01  0.202842D+01 -0.247151D+01
      4   0.263897D+01  0.147142D+01 -0.114615D+02  0.626538D+01  0.603595D+01
      5   0.429793D+00  0.115979D+01 -0.153982D+02  0.794746D+00  0.131782D+02
      6   0.114881D+02  0.954701D+01  0.638077D+01 -0.185083D+01 -0.664929D+01
               121           122           123           124           125 
      1   0.280438D+01  0.763963D+00 -0.124774D+01 -0.788346D+01 -0.164972D+01
      2  -0.302052D+01 -0.847524D+00  0.298092D+01  0.969317D+01  0.292168D+01
      3   0.216137D+00  0.835619D-01 -0.173318D+01 -0.180970D+01 -0.127195D+01
      4   0.316135D+01  0.108776D+01 -0.103831D+01  0.699335D+01 -0.272200D+01
      5  -0.196613D+01 -0.175166D+01  0.165567D+01  0.132528D+02 -0.119833D+01
      6  -0.634745D+00 -0.155712D+00  0.269867D+01 -0.595704D+01  0.501673D+01
               126           127           128           129           130 
      1   0.183949D+01  0.483846D+01 -0.182219D+01 -0.290764D+00 -0.240704D+01
      2  -0.842086D+01  0.158044D+01 -0.717711D+01 -0.114541D+01 -0.687057D+01
      3   0.658137D+01 -0.641890D+01  0.899930D+01  0.143617D+01  0.927761D+01
      4  -0.571302D+01 -0.100341D+02  0.122664D+02 -0.326052D+00  0.128985D+02
      5  -0.126458D+02  0.457530D+01 -0.357643D+01  0.428548D+01 -0.466517D+01
      6   0.674596D+01 -0.383499D+01  0.603292D+01 -0.141478D+01  0.581043D+01
               131           132           133           134           135 
      1  -0.609992D+01  0.244381D+01 -0.108312D+01  0.389675D+00 -0.419723D+00
      2   0.226110D+02  0.137828D+01 -0.953368D+00  0.397746D+01  0.155493D+01
      3  -0.165110D+02 -0.382209D+01  0.203649D+01 -0.436713D+01 -0.113521D+01
      4  -0.174468D+02  0.475564D+00  0.230931D+01 -0.255592D+01 -0.156230D+01
      5   0.544503D+01 -0.227292D+01  0.237175D+01 -0.838455D+00 -0.128131D+01
      6  -0.127707D+02  0.625629D+01 -0.410098D+00  0.304001D+01  0.103857D+01
               136           137           138           139           140 
      1  -0.202876D+01 -0.360595D+01  0.906404D+01 -0.234392D+01 -0.346913D+01
      2  -0.413033D+01  0.498506D+00  0.549918D+01 -0.354098D+00  0.237439D+01
      3   0.615909D+01  0.310744D+01 -0.145632D+02  0.269801D+01  0.109474D+01
      4   0.629172D+01  0.427252D+01 -0.380118D+01  0.420124D+01  0.764001D+00
      5  -0.125217D+02 -0.271830D+01  0.106961D+02 -0.195537D+01 -0.194766D+01
      6  -0.494645D+01 -0.673234D+01  0.900396D+01 -0.359495D+01 -0.574853D+01
               141           142           143           144           145 
      1   0.455126D+01  0.650880D+01  0.490225D+01 -0.134397D+02  0.961834D+01
      2  -0.105241D+01  0.282671D+01 -0.670491D+00 -0.917065D+01 -0.117063D+02
      3  -0.349885D+01 -0.933551D+01 -0.423175D+01  0.226103D+02  0.208793D+01
      4  -0.215591D+01 -0.335093D+01 -0.181783D+01  0.379542D+01  0.201480D+01
      5   0.283562D+01  0.983237D+01  0.305937D+01 -0.836668D+01  0.157446D+02
      6   0.754064D+01  0.584193D+01  0.774831D+01 -0.106447D+02  0.304364D+01
               146           147           148           149           150 
      1   0.297987D+01  0.257609D+01  0.429735D+01  0.778810D+00 -0.146270D+01
      2  -0.567872D+01 -0.936937D+01 -0.694976D+01 -0.142807D+01 -0.654677D+01
      3   0.269885D+01  0.679328D+01  0.265241D+01  0.649262D+00  0.800948D+01
      4   0.521275D+01  0.679527D+00  0.461120D+01  0.415933D+01  0.204204D+01
      5   0.550534D+01  0.138497D+02  0.897883D+01  0.604017D+01  0.897982D+01
      6   0.562529D+01  0.307514D+01  0.504337D+01  0.768993D+01  0.526266D+01
               151           152           153 
      1   0.242069D+01 -0.161897D+00 -0.259716D+01
      2  -0.782463D+01 -0.407800D+01 -0.104992D+02
      3   0.540394D+01  0.423990D+01  0.130964D+02
      4   0.351129D+00  0.142741D+01  0.190597D+01
      5   0.119158D+02  0.558989D+01  0.111155D+02
      6   0.333011D+01  0.508708D+01  0.327873D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.649519D+02      0.962488D+01      0.107091D+02
   aniso      0.201108D-01      0.298011D-02      0.331582D-02
   xx         0.649487D+02      0.962440D+01      0.107086D+02
   yx         0.238794D-02      0.353856D-03      0.393718D-03
   yy         0.649450D+02      0.962386D+01      0.107080D+02
   zx         0.507750D-02      0.752408D-03      0.837167D-03
   zy         0.474135D-02      0.702595D-03      0.781743D-03
   zz         0.649621D+02      0.962639D+01      0.107108D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199261         -1.77261302          2.27711131
     6         -2.54545341          1.37771086          0.13617659
     6          0.13192763         -1.54554822         -2.44740815
     6          2.15152905          1.94045127          0.03412950
     1         -1.25041333         -3.17768898          2.29985288
     1          0.17452138         -0.71848896          4.05005430
     1          2.06294513         -2.78069272          2.22733027
     1         -4.11526103          0.03703414          0.11598671
     1         -2.78261757          2.65548457         -1.46793632
     1         -2.69011409          2.49703050          1.86485566
     1         -1.38323258         -2.94587514         -2.52154318
     1          1.93017178         -2.54907311         -2.59353793
     1         -0.04999622         -0.32654106         -4.10361463
     1          2.10266957          3.07012065          1.76144194
     1          2.01060411          3.23088340         -1.57120858
     1          3.99110567          1.00827617         -0.06164621

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.649519D+02      0.962488D+01      0.107091D+02
   aniso      0.201108D-01      0.298011D-02      0.331582D-02
   xx         0.649624D+02      0.962644D+01      0.107109D+02
   yx         0.154602D-02      0.229096D-03      0.254904D-03
   yy         0.649447D+02      0.962382D+01      0.107079D+02
   zx        -0.634892D-02     -0.940812D-03     -0.104680D-02
   zy        -0.236389D-02     -0.350292D-03     -0.389752D-03
   zz         0.649486D+02      0.962439D+01      0.107086D+02

 ----------------------------------------------------------------------
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 MAN IS A SINGULAR CREATURE.  HE HAS A SET OF GIFTS
 WHICH MAKE HIM UNIQUE AMONG THE ANIMALS: SO THAT, 
 UNLIKE THEM, HE IS NOT A FIGURE IN THE LANDSCAPE --
 HE IS A SHAPER OF THE LANDSCAPE.

                       -- JACOB BRONOWSKI
 Job cpu time:       0 days  0 hours 40 minutes 38.6 seconds.
 Elapsed time:       0 days  0 hours  5 minutes  5.8 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:54:51 2022.
